NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20301 | 2fgx | 6929 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 1.578 32.373 4.030 2 2HB MET 1 2HB MET 1 -0.135 32.541 2.179 3 2HG MET 1 2HG MET 1 0.969 34.572 3.065 4 1HE MET 1 1HE MET 1 3.683 36.911 1.439 5 2HE MET 1 2HE MET 1 2.504 36.746 2.738 6 3HE MET 1 3HE MET 1 1.960 36.836 1.062 7 H ASN 2 H ASN 2 1.384 30.304 1.125 8 HA ASN 2 HA ASN 2 0.314 28.181 2.867 9 2HB ASN 2 2HB ASN 2 -0.665 27.234 0.769 10 1HD2 ASN 2 1HD2 ASN 2 -2.176 29.215 -0.692 11 2HD2 ASN 2 2HD2 ASN 2 -3.287 29.918 0.434 12 H ASN 3 H ASN 3 0.914 26.009 2.389 13 HA ASN 3 HA ASN 3 2.987 25.308 0.593 14 2HB ASN 3 2HB ASN 3 3.798 25.519 3.512 15 1HD2 ASN 3 1HD2 ASN 3 5.763 24.672 4.049 16 2HD2 ASN 3 2HD2 ASN 3 6.661 23.620 3.012 17 H GLN 4 H GLN 4 2.282 23.313 0.108 18 HA GLN 4 HA GLN 4 0.609 21.815 1.814 19 2HB GLN 4 2HB GLN 4 0.635 21.551 -0.656 20 2HG GLN 4 2HG GLN 4 3.212 20.071 -0.181 21 1HE2 GLN 4 1HE2 GLN 4 2.022 21.448 -3.139 22 2HE2 GLN 4 2HE2 GLN 4 1.793 19.954 -3.985 23 H VAL 5 H VAL 5 1.024 19.963 3.011 24 HA VAL 5 HA VAL 5 3.612 19.983 4.269 25 HB VAL 5 HB VAL 5 2.660 18.402 5.857 26 1HG1 VAL 5 1HG1 VAL 5 2.233 20.766 6.201 27 2HG1 VAL 5 2HG1 VAL 5 0.859 19.804 6.748 28 3HG1 VAL 5 3HG1 VAL 5 0.776 20.666 5.210 29 1HG2 VAL 5 1HG2 VAL 5 0.210 18.421 4.090 30 2HG2 VAL 5 2HG2 VAL 5 0.338 17.643 5.667 31 3HG2 VAL 5 3HG2 VAL 5 1.315 17.065 4.318 32 H GLU 6 H GLU 6 4.387 17.690 4.933 33 HA GLU 6 HA GLU 6 5.191 16.430 2.487 34 2HB GLU 6 2HB GLU 6 6.742 16.774 4.364 35 2HG GLU 6 2HG GLU 6 5.519 14.487 5.816 36 HA PRO 7 HA PRO 7 2.033 13.485 2.313 37 2HB PRO 7 2HB PRO 7 2.735 13.380 0.116 38 2HG PRO 7 2HG PRO 7 4.981 13.290 -0.432 39 2HD PRO 7 2HD PRO 7 5.245 15.050 0.998 40 H ARG 8 H ARG 8 1.546 11.104 2.418 41 HA ARG 8 HA ARG 8 3.108 9.877 4.579 42 2HB ARG 8 2HB ARG 8 1.159 8.626 5.166 43 2HG ARG 8 2HG ARG 8 0.073 11.317 4.368 44 2HD ARG 8 2HD ARG 8 -0.611 9.656 6.772 45 HE ARG 8 HE ARG 8 -1.558 12.158 5.800 46 1HH1 ARG 8 1HH1 ARG 8 -2.537 9.240 7.469 47 2HH1 ARG 8 2HH1 ARG 8 -3.961 9.950 8.160 48 1HH2 ARG 8 1HH2 ARG 8 -3.456 13.092 6.685 49 2HH2 ARG 8 2HH2 ARG 8 -4.490 12.140 7.710 50 H LYS 9 H LYS 9 3.920 7.818 4.348 51 HA LYS 9 HA LYS 9 4.363 6.992 1.589 52 2HB LYS 9 2HB LYS 9 5.483 5.483 3.893 53 2HG LYS 9 2HG LYS 9 7.618 5.925 2.611 54 2HD LYS 9 2HD LYS 9 6.214 4.458 0.617 55 2HE LYS 9 2HE LYS 9 7.430 2.575 1.593 56 1HZ LYS 9 1HZ LYS 9 8.900 5.139 1.367 57 2HZ LYS 9 2HZ LYS 9 8.820 3.866 0.246 58 3HZ LYS 9 3HZ LYS 9 9.698 3.676 1.687 59 H LEU 10 H LEU 10 3.806 4.966 0.758 60 HA LEU 10 HA LEU 10 1.984 3.359 2.427 61 2HB LEU 10 2HB LEU 10 0.818 2.746 0.322 62 HG LEU 10 HG LEU 10 0.881 5.735 0.754 63 1HD1 LEU 10 1HD1 LEU 10 -0.138 5.192 -1.356 64 2HD1 LEU 10 2HD1 LEU 10 -1.390 5.650 -0.204 65 3HD1 LEU 10 3HD1 LEU 10 -1.132 3.952 -0.599 66 1HD2 LEU 10 1HD2 LEU 10 -1.071 5.353 2.179 67 2HD2 LEU 10 2HD2 LEU 10 0.361 4.538 2.807 68 3HD2 LEU 10 3HD2 LEU 10 -0.883 3.612 1.967 69 H VAL 11 H VAL 11 2.267 1.222 2.504 70 HA VAL 11 HA VAL 11 4.427 0.060 0.864 71 HB VAL 11 HB VAL 11 3.689 -0.528 3.736 72 1HG1 VAL 11 1HG1 VAL 11 5.608 -2.049 1.979 73 2HG1 VAL 11 2HG1 VAL 11 4.053 -2.640 2.561 74 3HG1 VAL 11 3HG1 VAL 11 5.357 -2.308 3.706 75 1HG2 VAL 11 1HG2 VAL 11 6.298 0.318 2.480 76 2HG2 VAL 11 2HG2 VAL 11 6.011 0.035 4.199 77 3HG2 VAL 11 3HG2 VAL 11 5.201 1.369 3.378 78 H VAL 12 H VAL 12 4.000 -1.844 -0.159 79 HA VAL 12 HA VAL 12 1.331 -3.002 0.278 80 HB VAL 12 HB VAL 12 3.055 -3.004 -2.200 81 1HG1 VAL 12 1HG1 VAL 12 2.059 -5.221 -1.887 82 2HG1 VAL 12 2HG1 VAL 12 1.343 -4.374 -3.260 83 3HG1 VAL 12 3HG1 VAL 12 0.467 -4.478 -1.731 84 1HG2 VAL 12 1HG2 VAL 12 1.111 -1.920 -3.218 85 2HG2 VAL 12 2HG2 VAL 12 1.747 -0.989 -1.860 86 3HG2 VAL 12 3HG2 VAL 12 0.286 -1.956 -1.660 87 H TYR 13 H TYR 13 1.408 -4.761 1.485 88 HA TYR 13 HA TYR 13 3.810 -6.369 1.665 89 2HB TYR 13 2HB TYR 13 2.424 -7.761 3.230 90 HD1 TYR 13 1HD TYR 13 0.757 -4.898 4.380 91 HD2 TYR 13 2HD TYR 13 4.648 -6.590 4.053 92 HE1 TYR 13 1HE TYR 13 1.533 -3.457 6.213 93 HE2 TYR 13 2HE TYR 13 5.432 -5.150 5.882 94 HH TYR 13 HH TYR 13 3.285 -3.376 7.873 95 H GLY 14 H GLY 14 4.195 -8.256 0.646 96 1HA GLY 14 1HA GLY 14 2.038 -9.809 -0.489 97 2HA GLY 14 2HA GLY 14 3.045 -9.007 -1.686 98 H ARG 15 H ARG 15 3.447 -11.239 -2.364 99 HA ARG 15 HA ARG 15 5.942 -12.158 -1.275 100 2HB ARG 15 2HB ARG 15 4.545 -13.415 0.199 101 2HG ARG 15 2HG ARG 15 2.890 -13.977 -2.223 102 2HD ARG 15 2HD ARG 15 1.738 -15.728 -0.938 103 HE ARG 15 HE ARG 15 3.820 -16.249 -2.414 104 1HH1 ARG 15 1HH1 ARG 15 3.242 -17.326 0.864 105 2HH1 ARG 15 2HH1 ARG 15 4.222 -18.751 0.714 106 1HH2 ARG 15 1HH2 ARG 15 5.115 -18.123 -2.639 107 2HH2 ARG 15 2HH2 ARG 15 5.270 -19.217 -1.285 108 H GLU 16 H GLU 16 7.160 -12.546 -2.972 109 HA GLU 16 HA GLU 16 7.905 -13.146 -5.021 110 2HB GLU 16 2HB GLU 16 6.849 -15.055 -6.138 111 2HG GLU 16 2HG GLU 16 6.748 -15.461 -3.160 112 H GLY 17 H GLY 17 6.787 -13.618 -7.446 113 1HA GLY 17 1HA GLY 17 5.716 -10.994 -8.075 114 2HA GLY 17 2HA GLY 17 6.226 -12.221 -9.228 115 H CYS 18 H CYS 18 3.604 -10.899 -7.432 116 HA CYS 18 HA CYS 18 1.755 -12.839 -8.643 117 2HB CYS 18 2HB CYS 18 1.401 -10.955 -6.301 118 HG CYS 18 HG CYS 18 -1.072 -12.609 -5.826 119 H HIS 19 H HIS 19 0.087 -12.130 -9.952 120 HA HIS 19 HA HIS 19 0.547 -9.837 -11.484 121 2HB HIS 19 2HB HIS 19 -2.055 -10.322 -12.036 122 HD1 HIS 19 1HD HIS 19 -2.325 -11.850 -14.253 123 HD2 HIS 19 2HD HIS 19 1.547 -11.199 -12.881 124 HE1 HIS 19 1HE HIS 19 -0.812 -12.414 -16.183 125 H LEU 20 H LEU 20 -1.798 -10.367 -8.857 126 HA LEU 20 HA LEU 20 -3.098 -7.906 -9.072 127 2HB LEU 20 2HB LEU 20 -3.595 -8.212 -6.604 128 HG LEU 20 HG LEU 20 -4.166 -10.660 -8.273 129 1HD1 LEU 20 1HD1 LEU 20 -5.664 -9.444 -5.954 130 2HD1 LEU 20 2HD1 LEU 20 -4.646 -10.884 -5.872 131 3HD1 LEU 20 3HD1 LEU 20 -6.113 -10.896 -6.850 132 1HD2 LEU 20 1HD2 LEU 20 -5.679 -8.058 -8.078 133 2HD2 LEU 20 2HD2 LEU 20 -6.232 -9.506 -8.918 134 3HD2 LEU 20 3HD2 LEU 20 -4.800 -8.648 -9.489 135 H CYS 21 H CYS 21 -0.087 -8.755 -7.454 136 HA CYS 21 HA CYS 21 0.328 -6.302 -6.139 137 2HB CYS 21 2HB CYS 21 2.724 -6.938 -6.142 138 HG CYS 21 HG CYS 21 2.010 -8.138 -3.962 139 H GLU 22 H GLU 22 1.388 -7.459 -9.326 140 HA GLU 22 HA GLU 22 2.711 -5.142 -10.161 141 2HB GLU 22 2HB GLU 22 2.282 -6.025 -12.477 142 2HG GLU 22 2HG GLU 22 3.460 -8.172 -12.208 143 H GLU 23 H GLU 23 -0.664 -6.132 -10.582 144 HA GLU 23 HA GLU 23 -1.490 -3.971 -12.169 145 2HB GLU 23 2HB GLU 23 -3.763 -4.571 -11.501 146 2HG GLU 23 2HG GLU 23 -3.806 -6.933 -12.062 147 H MET 24 H MET 24 -1.454 -4.407 -8.646 148 HA MET 24 HA MET 24 -2.636 -1.882 -8.079 149 2HB MET 24 2HB MET 24 -1.649 -2.232 -5.766 150 2HG MET 24 2HG MET 24 -3.245 -4.554 -6.809 151 1HE MET 24 1HE MET 24 -3.888 -2.015 -3.862 152 2HE MET 24 2HE MET 24 -2.139 -2.227 -3.823 153 3HE MET 24 3HE MET 24 -3.132 -2.855 -2.509 154 H ILE 25 H ILE 25 0.714 -2.991 -8.368 155 HA ILE 25 HA ILE 25 1.999 -0.638 -7.596 156 HB ILE 25 HB ILE 25 2.803 -2.675 -9.681 157 2HG1 ILE 25 2HG1 ILE 25 2.689 -3.458 -7.340 158 1HG2 ILE 25 1HG2 ILE 25 3.877 -0.561 -10.226 159 2HG2 ILE 25 2HG2 ILE 25 5.058 -1.702 -9.580 160 3HG2 ILE 25 3HG2 ILE 25 4.438 -0.400 -8.563 161 1HD1 ILE 25 1HD1 ILE 25 4.955 -4.283 -7.054 162 2HD1 ILE 25 2HD1 ILE 25 5.528 -3.140 -8.267 163 3HD1 ILE 25 3HD1 ILE 25 4.432 -4.440 -8.733 164 H ALA 26 H ALA 26 0.846 -1.619 -10.822 165 HA ALA 26 HA ALA 26 1.538 0.729 -12.177 166 1HB ALA 26 1HB ALA 26 -0.781 -1.122 -12.717 167 2HB ALA 26 2HB ALA 26 0.865 -1.323 -13.318 168 3HB ALA 26 3HB ALA 26 -0.108 0.050 -13.851 169 H SER 27 H SER 27 -1.375 -0.140 -10.377 170 HA SER 27 HA SER 27 -2.909 2.142 -10.938 171 2HB SER 27 2HB SER 27 -4.189 1.514 -8.922 172 HG SER 27 HG SER 27 -3.274 -0.773 -10.356 173 H LEU 28 H LEU 28 -0.639 1.452 -8.302 174 HA LEU 28 HA LEU 28 -1.058 3.945 -6.984 175 2HB LEU 28 2HB LEU 28 0.897 3.268 -5.622 176 HG LEU 28 HG LEU 28 -1.021 0.972 -6.053 177 1HD1 LEU 28 1HD1 LEU 28 0.961 0.308 -4.819 178 2HD1 LEU 28 2HD1 LEU 28 -0.445 0.370 -3.756 179 3HD1 LEU 28 3HD1 LEU 28 0.749 1.667 -3.717 180 1HD2 LEU 28 1HD2 LEU 28 -1.155 3.325 -4.176 181 2HD2 LEU 28 2HD2 LEU 28 -2.261 1.952 -4.183 182 3HD2 LEU 28 3HD2 LEU 28 -2.197 3.042 -5.569 183 H ARG 29 H ARG 29 1.219 2.792 -9.393 184 HA ARG 29 HA ARG 29 3.024 4.960 -9.289 185 2HB ARG 29 2HB ARG 29 3.476 4.334 -11.718 186 2HG ARG 29 2HG ARG 29 4.346 2.055 -11.180 187 2HD ARG 29 2HD ARG 29 5.910 2.854 -9.394 188 HE ARG 29 HE ARG 29 6.072 3.576 -11.872 189 1HH1 ARG 29 1HH1 ARG 29 5.992 5.772 -9.119 190 2HH1 ARG 29 2HH1 ARG 29 6.938 6.992 -9.919 191 1HH2 ARG 29 1HH2 ARG 29 7.277 5.195 -12.922 192 2HH2 ARG 29 2HH2 ARG 29 7.624 6.687 -12.093 193 H VAL 30 H VAL 30 0.016 4.457 -11.058 194 HA VAL 30 HA VAL 30 0.020 6.929 -12.428 195 HB VAL 30 HB VAL 30 -2.312 5.205 -11.565 196 1HG1 VAL 30 1HG1 VAL 30 -3.055 7.489 -11.969 197 2HG1 VAL 30 2HG1 VAL 30 -3.613 6.416 -13.253 198 3HG1 VAL 30 3HG1 VAL 30 -2.242 7.492 -13.532 199 1HG2 VAL 30 1HG2 VAL 30 -0.789 4.073 -13.083 200 2HG2 VAL 30 2HG2 VAL 30 -0.859 5.439 -14.197 201 3HG2 VAL 30 3HG2 VAL 30 -2.300 4.465 -13.909 202 H LEU 31 H LEU 31 -1.364 5.925 -9.310 203 HA LEU 31 HA LEU 31 -2.514 8.403 -8.646 204 2HB LEU 31 2HB LEU 31 -1.998 7.453 -6.211 205 HG LEU 31 HG LEU 31 -3.992 6.077 -8.007 206 1HD1 LEU 31 1HD1 LEU 31 -3.564 4.939 -5.878 207 2HD1 LEU 31 2HD1 LEU 31 -5.188 5.621 -5.948 208 3HD1 LEU 31 3HD1 LEU 31 -3.929 6.435 -5.018 209 1HD2 LEU 31 1HD2 LEU 31 -4.277 8.496 -8.094 210 2HD2 LEU 31 2HD2 LEU 31 -4.264 8.576 -6.331 211 3HD2 LEU 31 3HD2 LEU 31 -5.581 7.751 -7.169 212 H GLN 32 H GLN 32 0.738 7.151 -8.194 213 HA GLN 32 HA GLN 32 1.743 9.080 -6.453 214 2HB GLN 32 2HB GLN 32 3.954 8.538 -7.820 215 2HG GLN 32 2HG GLN 32 2.462 6.603 -6.071 216 1HE2 GLN 32 1HE2 GLN 32 3.701 4.922 -5.129 217 2HE2 GLN 32 2HE2 GLN 32 5.076 4.273 -5.948 218 H LYS 33 H LYS 33 0.915 9.371 -9.781 219 HA LYS 33 HA LYS 33 2.518 11.671 -10.331 220 2HB LYS 33 2HB LYS 33 1.121 11.901 -12.329 221 2HG LYS 33 2HG LYS 33 1.760 8.998 -11.902 222 2HD LYS 33 2HD LYS 33 2.338 9.122 -14.290 223 2HE LYS 33 2HE LYS 33 -0.454 10.045 -13.615 224 1HZ LYS 33 1HZ LYS 33 0.611 8.747 -16.063 225 2HZ LYS 33 2HZ LYS 33 -0.114 10.280 -15.952 226 3HZ LYS 33 3HZ LYS 33 -1.040 8.884 -15.696 227 H LYS 34 H LYS 34 -0.636 11.081 -9.017 228 HA LYS 34 HA LYS 34 -1.363 13.905 -9.017 229 2HB LYS 34 2HB LYS 34 -3.449 13.060 -7.932 230 2HG LYS 34 2HG LYS 34 -2.626 11.793 -10.521 231 2HD LYS 34 2HD LYS 34 -5.257 11.675 -9.066 232 2HE LYS 34 2HE LYS 34 -6.102 10.604 -11.162 233 1HZ LYS 34 1HZ LYS 34 -5.304 13.381 -11.756 234 2HZ LYS 34 2HZ LYS 34 -6.391 13.054 -10.500 235 3HZ LYS 34 3HZ LYS 34 -6.773 12.595 -12.087 236 H SER 35 H SER 35 -0.668 11.275 -6.792 237 HA SER 35 HA SER 35 -0.061 13.182 -4.654 238 2HB SER 35 2HB SER 35 -1.361 11.877 -3.042 239 HG SER 35 HG SER 35 -2.518 13.069 -5.221 240 H TRP 36 H TRP 36 1.983 12.747 -4.080 241 HA TRP 36 HA TRP 36 3.167 10.198 -4.697 242 2HB TRP 36 2HB TRP 36 4.380 12.449 -3.086 243 HD1 TRP 36 HD TRP 36 6.146 10.979 -1.798 244 HE1 TRP 36 1HE TRP 36 8.134 9.536 -2.559 245 HE3 TRP 36 3HE TRP 36 5.135 10.777 -6.807 246 HZ2 TRP 36 2HZ TRP 36 9.134 8.439 -4.966 247 HZ3 TRP 36 3HZ TRP 36 6.648 9.505 -8.266 248 HH2 TRP 36 HH TRP 36 8.608 8.361 -7.362 249 H PHE 37 H PHE 37 3.439 8.508 -3.388 250 HA PHE 37 HA PHE 37 3.378 8.878 -0.502 251 2HB PHE 37 2HB PHE 37 1.115 8.360 -0.745 252 HD1 PHE 37 1HD PHE 37 -0.321 8.545 -2.512 253 HD2 PHE 37 2HD PHE 37 2.502 5.356 -2.510 254 HE1 PHE 37 1HE PHE 37 -1.369 7.621 -4.530 255 HE2 PHE 37 2HE PHE 37 1.458 4.433 -4.530 256 HZ PHE 37 HZ PHE 37 -0.478 5.562 -5.545 257 H GLU 38 H GLU 38 5.173 8.005 -2.804 258 HA GLU 38 HA GLU 38 6.776 6.489 -3.299 259 2HB GLU 38 2HB GLU 38 7.808 5.285 -1.375 260 2HG GLU 38 2HG GLU 38 7.349 8.020 -0.376 261 H LEU 39 H LEU 39 7.388 4.019 -2.886 262 HA LEU 39 HA LEU 39 5.050 2.349 -2.578 263 2HB LEU 39 2HB LEU 39 6.553 2.270 -5.189 264 HG LEU 39 HG LEU 39 5.543 0.155 -4.960 265 1HD1 LEU 39 1HD1 LEU 39 4.207 0.610 -2.967 266 2HD1 LEU 39 2HD1 LEU 39 3.220 -0.152 -4.216 267 3HD1 LEU 39 3HD1 LEU 39 3.091 1.582 -3.925 268 1HD2 LEU 39 1HD2 LEU 39 3.563 1.940 -6.371 269 2HD2 LEU 39 2HD2 LEU 39 3.743 0.199 -6.603 270 3HD2 LEU 39 3HD2 LEU 39 5.046 1.290 -7.075 271 H GLU 40 H GLU 40 5.726 0.807 -1.277 272 HA GLU 40 HA GLU 40 8.341 -0.420 -1.810 273 2HB GLU 40 2HB GLU 40 7.201 0.170 0.926 274 2HG GLU 40 2HG GLU 40 9.658 -1.242 0.025 275 H VAL 41 H VAL 41 8.116 -2.489 -2.260 276 HA VAL 41 HA VAL 41 5.749 -3.925 -1.291 277 HB VAL 41 HB VAL 41 7.704 -4.762 -3.447 278 1HG1 VAL 41 1HG1 VAL 41 6.622 -6.663 -2.383 279 2HG1 VAL 41 2HG1 VAL 41 5.985 -6.437 -4.013 280 3HG1 VAL 41 3HG1 VAL 41 5.039 -5.920 -2.616 281 1HG2 VAL 41 1HG2 VAL 41 5.945 -4.191 -5.031 282 2HG2 VAL 41 2HG2 VAL 41 6.425 -2.777 -4.092 283 3HG2 VAL 41 3HG2 VAL 41 4.923 -3.622 -3.711 284 H ILE 42 H ILE 42 5.994 -5.173 0.425 285 HA ILE 42 HA ILE 42 8.694 -6.139 1.058 286 HB ILE 42 HB ILE 42 6.480 -5.392 2.970 287 2HG1 ILE 42 2HG1 ILE 42 7.624 -3.484 1.909 288 1HG2 ILE 42 1HG2 ILE 42 8.101 -5.844 4.747 289 2HG2 ILE 42 2HG2 ILE 42 9.268 -6.401 3.547 290 3HG2 ILE 42 3HG2 ILE 42 7.770 -7.295 3.802 291 1HD1 ILE 42 1HD1 ILE 42 6.995 -3.232 4.269 292 2HD1 ILE 42 2HD1 ILE 42 8.434 -2.307 3.834 293 3HD1 ILE 42 3HD1 ILE 42 8.593 -3.817 4.733 294 H ASN 43 H ASN 43 9.007 -8.228 1.284 295 HA ASN 43 HA ASN 43 6.928 -10.101 0.672 296 2HB ASN 43 2HB ASN 43 8.741 -11.790 1.017 297 1HD2 ASN 43 1HD2 ASN 43 8.411 -12.138 -1.112 298 2HD2 ASN 43 2HD2 ASN 43 9.163 -11.216 -2.382 299 H ILE 44 H ILE 44 5.523 -10.904 2.101 300 HA ILE 44 HA ILE 44 6.108 -10.719 4.947 301 HB ILE 44 HB ILE 44 3.845 -11.392 5.363 302 2HG1 ILE 44 2HG1 ILE 44 3.860 -13.092 3.438 303 1HG2 ILE 44 1HG2 ILE 44 4.169 -9.072 4.767 304 2HG2 ILE 44 2HG2 ILE 44 2.617 -9.640 4.153 305 3HG2 ILE 44 3HG2 ILE 44 3.984 -9.458 3.055 306 1HD1 ILE 44 1HD1 ILE 44 1.859 -12.752 4.794 307 2HD1 ILE 44 2HD1 ILE 44 1.455 -13.036 3.100 308 3HD1 ILE 44 3HD1 ILE 44 1.390 -11.403 3.761 309 H ASP 45 H ASP 45 6.407 -13.020 2.474 310 HA ASP 45 HA ASP 45 5.828 -15.427 3.716 311 2HB ASP 45 2HB ASP 45 8.010 -14.815 1.717 312 H GLY 46 H GLY 46 8.759 -13.471 3.928 313 1HA GLY 46 1HA GLY 46 10.182 -15.311 5.575 314 2HA GLY 46 2HA GLY 46 10.560 -13.606 5.361 315 H ASN 47 H ASN 47 8.399 -12.320 6.304 316 HA ASN 47 HA ASN 47 8.623 -12.771 9.147 317 2HB ASN 47 2HB ASN 47 7.085 -10.741 9.270 318 1HD2 ASN 47 1HD2 ASN 47 8.044 -8.784 9.596 319 2HD2 ASN 47 2HD2 ASN 47 9.734 -8.496 9.341 320 H GLU 48 H GLU 48 7.528 -14.617 9.640 321 HA GLU 48 HA GLU 48 4.992 -15.295 8.606 322 2HB GLU 48 2HB GLU 48 4.977 -17.012 10.403 323 2HG GLU 48 2HG GLU 48 7.581 -16.705 8.923 324 H HIS 49 H HIS 49 5.953 -13.190 11.169 325 HA HIS 49 HA HIS 49 3.518 -13.042 12.587 326 2HB HIS 49 2HB HIS 49 4.305 -10.547 12.886 327 HD1 HIS 49 1HD HIS 49 4.729 -10.379 15.312 328 HD2 HIS 49 2HD HIS 49 6.382 -13.836 13.691 329 HE1 HIS 49 1HE HIS 49 5.741 -11.626 17.253 330 H LEU 50 H LEU 50 4.652 -11.354 9.684 331 HA LEU 50 HA LEU 50 2.272 -9.829 9.330 332 2HB LEU 50 2HB LEU 50 3.151 -9.479 7.014 333 HG LEU 50 HG LEU 50 5.227 -9.055 9.161 334 1HD1 LEU 50 1HD1 LEU 50 6.165 -8.904 6.911 335 2HD1 LEU 50 2HD1 LEU 50 6.104 -7.324 7.690 336 3HD1 LEU 50 3HD1 LEU 50 4.911 -7.746 6.462 337 1HD2 LEU 50 1HD2 LEU 50 4.294 -6.817 9.338 338 2HD2 LEU 50 2HD2 LEU 50 3.055 -8.027 9.675 339 3HD2 LEU 50 3HD2 LEU 50 3.086 -7.205 8.114 340 H THR 51 H THR 51 3.431 -12.930 8.149 341 HA THR 51 HA THR 51 1.319 -13.459 6.363 342 HB THR 51 HB THR 51 3.037 -15.409 7.918 343 HG1 THR 51 1HG THR 51 4.378 -14.263 6.590 344 1HG2 THR 51 1HG2 THR 51 2.450 -17.017 6.166 345 2HG2 THR 51 2HG2 THR 51 1.360 -15.834 5.443 346 3HG2 THR 51 3HG2 THR 51 1.017 -16.485 7.046 347 H ARG 52 H ARG 52 1.668 -13.942 9.826 348 HA ARG 52 HA ARG 52 -0.678 -15.424 10.269 349 2HB ARG 52 2HB ARG 52 0.505 -13.408 12.181 350 2HG ARG 52 2HG ARG 52 -0.337 -16.052 13.116 351 2HD ARG 52 2HD ARG 52 -1.286 -14.738 14.934 352 HE ARG 52 HE ARG 52 1.337 -14.955 14.655 353 1HH1 ARG 52 1HH1 ARG 52 -0.593 -12.153 15.486 354 2HH1 ARG 52 2HH1 ARG 52 0.640 -11.431 16.479 355 1HH2 ARG 52 1HH2 ARG 52 2.966 -14.022 15.970 356 2HH2 ARG 52 2HH2 ARG 52 2.656 -12.504 16.778 357 H LEU 53 H LEU 53 -0.027 -11.992 9.976 358 HA LEU 53 HA LEU 53 -2.630 -11.110 10.723 359 2HB LEU 53 2HB LEU 53 -1.863 -8.982 9.545 360 HG LEU 53 HG LEU 53 -0.162 -10.105 11.767 361 1HD1 LEU 53 1HD1 LEU 53 -0.209 -7.289 10.684 362 2HD1 LEU 53 2HD1 LEU 53 1.118 -8.435 10.496 363 3HD1 LEU 53 3HD1 LEU 53 0.680 -7.848 12.101 364 1HD2 LEU 53 1HD2 LEU 53 -1.470 -8.542 13.127 365 2HD2 LEU 53 2HD2 LEU 53 -2.507 -9.712 12.309 366 3HD2 LEU 53 3HD2 LEU 53 -2.381 -8.063 11.694 367 H TYR 54 H TYR 54 -1.014 -11.569 7.585 368 HA TYR 54 HA TYR 54 -3.582 -10.948 6.294 369 2HB TYR 54 2HB TYR 54 -2.349 -10.162 4.401 370 HD1 TYR 54 1HD TYR 54 0.647 -9.305 5.883 371 HD2 TYR 54 2HD TYR 54 -3.519 -8.500 6.239 372 HE1 TYR 54 1HE TYR 54 1.158 -7.185 7.017 373 HE2 TYR 54 2HE TYR 54 -3.016 -6.376 7.374 374 HH TYR 54 HH TYR 54 -1.306 -5.253 8.538 375 H ASN 55 H ASN 55 -0.674 -12.891 5.563 376 HA ASN 55 HA ASN 55 -0.348 -14.803 4.382 377 2HB ASN 55 2HB ASN 55 -3.025 -15.608 5.543 378 1HD2 ASN 55 1HD2 ASN 55 -3.515 -17.024 3.856 379 2HD2 ASN 55 2HD2 ASN 55 -2.605 -18.464 3.568 380 H ASP 56 H ASP 56 -3.858 -14.940 4.082 381 HA ASP 56 HA ASP 56 -3.570 -15.449 1.247 382 2HB ASP 56 2HB ASP 56 -5.879 -15.586 3.176 383 H ARG 57 H ARG 57 -4.624 -12.896 3.347 384 HA ARG 57 HA ARG 57 -5.718 -11.420 1.082 385 2HB ARG 57 2HB ARG 57 -6.506 -9.776 2.717 386 2HG ARG 57 2HG ARG 57 -7.777 -12.013 2.370 387 2HD ARG 57 2HD ARG 57 -7.178 -12.266 5.298 388 HE ARG 57 HE ARG 57 -8.982 -13.588 3.646 389 1HH1 ARG 57 1HH1 ARG 57 -6.487 -14.317 5.983 390 2HH1 ARG 57 2HH1 ARG 57 -7.121 -15.890 6.378 391 1HH2 ARG 57 1HH2 ARG 57 -9.847 -15.635 4.163 392 2HH2 ARG 57 2HH2 ARG 57 -9.059 -16.631 5.353 393 H VAL 58 H VAL 58 -3.402 -11.536 0.324 394 HA VAL 58 HA VAL 58 -1.683 -9.663 1.644 395 HB VAL 58 HB VAL 58 -0.365 -10.336 -0.678 396 1HG1 VAL 58 1HG1 VAL 58 0.614 -10.194 1.511 397 2HG1 VAL 58 2HG1 VAL 58 0.982 -11.769 0.807 398 3HG1 VAL 58 3HG1 VAL 58 -0.272 -11.623 2.040 399 1HG2 VAL 58 1HG2 VAL 58 -1.974 -12.031 -1.287 400 2HG2 VAL 58 2HG2 VAL 58 -1.866 -12.762 0.317 401 3HG2 VAL 58 3HG2 VAL 58 -0.476 -12.808 -0.771 402 HA PRO 59 HA PRO 59 -0.231 -7.287 -1.806 403 2HB PRO 59 2HB PRO 59 -1.156 -6.734 -3.877 404 2HG PRO 59 2HG PRO 59 -0.844 -8.934 -4.356 405 2HD PRO 59 2HD PRO 59 -0.485 -10.040 -2.404 406 H VAL 60 H VAL 60 -0.673 -6.639 0.523 407 HA VAL 60 HA VAL 60 -3.135 -5.137 0.925 408 HB VAL 60 HB VAL 60 -1.554 -5.156 3.304 409 1HG1 VAL 60 1HG1 VAL 60 -3.464 -6.381 4.199 410 2HG1 VAL 60 2HG1 VAL 60 -4.043 -6.699 2.564 411 3HG1 VAL 60 3HG1 VAL 60 -4.001 -5.045 3.181 412 1HG2 VAL 60 1HG2 VAL 60 -1.887 -7.878 2.047 413 2HG2 VAL 60 2HG2 VAL 60 -1.347 -7.555 3.697 414 3HG2 VAL 60 3HG2 VAL 60 -0.351 -7.051 2.331 415 H LEU 61 H LEU 61 -3.254 -3.039 1.029 416 HA LEU 61 HA LEU 61 -0.804 -1.511 0.688 417 2HB LEU 61 2HB LEU 61 -3.638 -0.494 0.560 418 HG LEU 61 HG LEU 61 -2.606 0.949 -1.302 419 1HD1 LEU 61 1HD1 LEU 61 -1.874 1.458 1.572 420 2HD1 LEU 61 2HD1 LEU 61 -3.420 1.836 0.810 421 3HD1 LEU 61 3HD1 LEU 61 -1.955 2.665 0.292 422 1HD2 LEU 61 1HD2 LEU 61 -0.240 1.473 -1.023 423 2HD2 LEU 61 2HD2 LEU 61 -0.461 -0.226 -1.444 424 3HD2 LEU 61 3HD2 LEU 61 -0.102 0.232 0.221 425 H PHE 62 H PHE 62 0.155 -1.067 2.497 426 HA PHE 62 HA PHE 62 -1.351 -0.569 4.951 427 2HB PHE 62 2HB PHE 62 1.550 -1.170 4.364 428 HD1 PHE 62 1HD PHE 62 -0.474 -1.668 7.421 429 HD2 PHE 62 2HD PHE 62 2.859 0.281 5.637 430 HE1 PHE 62 1HE PHE 62 0.281 -0.924 9.643 431 HE2 PHE 62 2HE PHE 62 3.615 1.031 7.846 432 HZ PHE 62 HZ PHE 62 2.326 0.429 9.858 433 H ALA 63 H ALA 63 -1.341 1.336 6.014 434 HA ALA 63 HA ALA 63 -0.280 3.652 4.601 435 1HB ALA 63 1HB ALA 63 -2.592 3.701 5.354 436 2HB ALA 63 2HB ALA 63 -1.641 4.953 6.155 437 3HB ALA 63 3HB ALA 63 -2.065 3.476 7.022 438 H VAL 64 H VAL 64 1.765 4.123 5.016 439 HA VAL 64 HA VAL 64 2.913 3.687 7.646 440 HB VAL 64 HB VAL 64 4.228 5.004 5.254 441 1HG1 VAL 64 1HG1 VAL 64 6.313 4.336 6.339 442 2HG1 VAL 64 2HG1 VAL 64 5.399 3.666 7.690 443 3HG1 VAL 64 3HG1 VAL 64 5.364 5.402 7.377 444 1HG2 VAL 64 1HG2 VAL 64 4.219 2.098 6.058 445 2HG2 VAL 64 2HG2 VAL 64 5.210 2.803 4.780 446 3HG2 VAL 64 3HG2 VAL 64 3.453 2.788 4.630 447 H ASN 65 H ASN 65 3.922 5.444 8.853 448 HA ASN 65 HA ASN 65 3.866 7.461 9.910 449 2HB ASN 65 2HB ASN 65 3.083 9.503 8.690 450 1HD2 ASN 65 1HD2 ASN 65 4.561 10.702 7.599 451 2HD2 ASN 65 2HD2 ASN 65 6.085 10.075 7.067 452 H GLU 66 H GLU 66 1.718 5.455 9.760 453 HA GLU 66 HA GLU 66 -0.296 6.863 11.261 454 2HB GLU 66 2HB GLU 66 -1.095 5.433 8.714 455 2HG GLU 66 2HG GLU 66 -2.833 5.410 10.442 456 H ASP 67 H ASP 67 0.694 3.917 9.599 457 HA ASP 67 HA ASP 67 1.115 1.828 10.359 458 2HB ASP 67 2HB ASP 67 0.395 2.751 13.144 459 H LYS 68 H LYS 68 -1.090 1.907 9.097 460 HA LYS 68 HA LYS 68 -2.736 -0.050 10.436 461 2HB LYS 68 2HB LYS 68 -3.782 2.142 11.091 462 2HG LYS 68 2HG LYS 68 -4.141 2.390 8.122 463 2HD LYS 68 2HD LYS 68 -6.306 2.638 9.549 464 2HE LYS 68 2HE LYS 68 -6.614 4.993 10.312 465 1HZ LYS 68 1HZ LYS 68 -6.149 3.226 11.935 466 2HZ LYS 68 2HZ LYS 68 -5.544 4.734 12.428 467 3HZ LYS 68 3HZ LYS 68 -4.490 3.561 11.817 468 H GLU 69 H GLU 69 -4.173 -1.163 8.928 469 HA GLU 69 HA GLU 69 -3.196 -1.132 6.211 470 2HB GLU 69 2HB GLU 69 -4.812 -2.969 5.847 471 2HG GLU 69 2HG GLU 69 -2.548 -3.367 7.019 472 H LEU 70 H LEU 70 -4.240 -0.326 4.432 473 HA LEU 70 HA LEU 70 -6.751 1.131 4.927 474 2HB LEU 70 2HB LEU 70 -6.282 2.328 2.840 475 HG LEU 70 HG LEU 70 -3.788 2.395 4.533 476 1HD1 LEU 70 1HD1 LEU 70 -3.477 3.470 2.412 477 2HD1 LEU 70 2HD1 LEU 70 -3.670 4.714 3.647 478 3HD1 LEU 70 3HD1 LEU 70 -5.011 4.325 2.564 479 1HD2 LEU 70 1HD2 LEU 70 -6.317 4.024 4.783 480 2HD2 LEU 70 2HD2 LEU 70 -4.847 4.220 5.741 481 3HD2 LEU 70 3HD2 LEU 70 -5.809 2.748 5.889 482 H CYS 71 H CYS 71 -5.191 -0.599 2.260 483 HA CYS 71 HA CYS 71 -7.757 -1.869 1.630 484 2HB CYS 71 2HB CYS 71 -7.275 -1.494 -0.785 485 HG CYS 71 HG CYS 71 -9.178 0.220 0.047 486 H HIS 72 H HIS 72 -7.178 -3.456 -0.355 487 HA HIS 72 HA HIS 72 -4.666 -4.839 0.122 488 2HB HIS 72 2HB HIS 72 -6.042 -6.016 1.680 489 HD1 HIS 72 1HD HIS 72 -8.071 -6.664 -1.505 490 HD2 HIS 72 2HD HIS 72 -8.594 -5.809 2.532 491 HE1 HIS 72 1HE HIS 72 -10.552 -6.711 -1.116 492 H TYR 73 H TYR 73 -4.979 -7.023 -1.411 493 HA TYR 73 HA TYR 73 -4.689 -6.390 -3.996 494 2HB TYR 73 2HB TYR 73 -4.382 -8.658 -3.303 495 HD1 TYR 73 1HD TYR 73 -7.671 -9.657 -4.274 496 HD2 TYR 73 2HD TYR 73 -5.230 -8.783 -0.912 497 HE1 TYR 73 1HE TYR 73 -9.225 -10.911 -2.832 498 HE2 TYR 73 2HE TYR 73 -6.767 -10.034 0.541 499 HH TYR 73 HH TYR 73 -9.002 -12.162 -0.524 500 H PHE 74 H PHE 74 -5.853 -5.853 -5.736 501 HA PHE 74 HA PHE 74 -7.527 -4.958 -6.965 502 2HB PHE 74 2HB PHE 74 -9.933 -5.380 -6.277 503 HD1 PHE 74 1HD PHE 74 -9.537 -6.128 -8.611 504 HD2 PHE 74 2HD PHE 74 -8.491 -8.530 -5.257 505 HE1 PHE 74 1HE PHE 74 -9.422 -8.106 -10.069 506 HE2 PHE 74 2HE PHE 74 -8.378 -10.511 -6.712 507 HZ PHE 74 HZ PHE 74 -8.843 -10.299 -9.120 508 H LEU 75 H LEU 75 -7.038 -2.894 -6.732 509 HA LEU 75 HA LEU 75 -6.987 -1.457 -4.333 510 2HB LEU 75 2HB LEU 75 -7.237 -0.317 -7.112 511 HG LEU 75 HG LEU 75 -7.243 1.346 -5.227 512 1HD1 LEU 75 1HD1 LEU 75 -5.779 0.106 -3.701 513 2HD1 LEU 75 2HD1 LEU 75 -5.149 1.719 -4.036 514 3HD1 LEU 75 3HD1 LEU 75 -4.438 0.313 -4.829 515 1HD2 LEU 75 1HD2 LEU 75 -4.882 1.357 -7.101 516 2HD2 LEU 75 2HD2 LEU 75 -5.515 2.761 -6.242 517 3HD2 LEU 75 3HD2 LEU 75 -6.503 1.952 -7.459 518 H ASP 76 H ASP 76 -8.532 -0.446 -3.193 519 HA ASP 76 HA ASP 76 -11.246 -0.406 -4.153 520 2HB ASP 76 2HB ASP 76 -11.760 0.681 -1.982 521 H SER 77 H SER 77 -8.609 1.809 -3.776 522 HA SER 77 HA SER 77 -8.162 3.855 -4.607 523 2HB SER 77 2HB SER 77 -9.515 4.763 -6.441 524 HG SER 77 HG SER 77 -9.421 2.823 -7.786 525 H ASP 78 H ASP 78 -11.620 3.612 -3.819 526 HA ASP 78 HA ASP 78 -12.087 6.287 -3.226 527 2HB ASP 78 2HB ASP 78 -13.351 3.859 -1.946 528 H VAL 79 H VAL 79 -11.101 3.672 -1.050 529 HA VAL 79 HA VAL 79 -11.147 5.199 1.306 530 HB VAL 79 HB VAL 79 -9.826 2.595 0.607 531 1HG1 VAL 79 1HG1 VAL 79 -8.398 3.694 2.286 532 2HG1 VAL 79 2HG1 VAL 79 -9.241 2.294 2.949 533 3HG1 VAL 79 3HG1 VAL 79 -9.810 3.923 3.318 534 1HG2 VAL 79 1HG2 VAL 79 -11.519 1.772 2.227 535 2HG2 VAL 79 2HG2 VAL 79 -12.216 2.568 0.815 536 3HG2 VAL 79 3HG2 VAL 79 -12.129 3.427 2.353 537 H ILE 80 H ILE 80 -8.321 4.269 -0.727 538 HA ILE 80 HA ILE 80 -6.541 5.828 0.860 539 HB ILE 80 HB ILE 80 -5.658 4.002 -0.496 540 2HG1 ILE 80 2HG1 ILE 80 -4.633 6.721 -1.329 541 1HG2 ILE 80 1HG2 ILE 80 -7.132 4.147 -2.400 542 2HG2 ILE 80 2HG2 ILE 80 -5.444 4.210 -2.907 543 3HG2 ILE 80 3HG2 ILE 80 -6.403 5.689 -2.863 544 1HD1 ILE 80 1HD1 ILE 80 -4.579 6.396 1.066 545 2HD1 ILE 80 2HD1 ILE 80 -2.956 6.398 0.380 546 3HD1 ILE 80 3HD1 ILE 80 -3.714 4.874 0.849 547 H GLY 81 H GLY 81 -8.642 6.563 -1.822 548 1HA GLY 81 1HA GLY 81 -7.547 9.066 -2.539 549 2HA GLY 81 2HA GLY 81 -9.224 8.581 -2.755 550 H ALA 82 H ALA 82 -10.029 8.171 -0.176 551 HA ALA 82 HA ALA 82 -10.483 10.785 0.817 552 1HB ALA 82 1HB ALA 82 -12.098 9.010 1.146 553 2HB ALA 82 2HB ALA 82 -11.553 9.606 2.715 554 3HB ALA 82 3HB ALA 82 -10.931 8.077 2.086 555 H TYR 83 H TYR 83 -8.030 8.450 1.349 556 HA TYR 83 HA TYR 83 -7.196 9.523 3.903 557 2HB TYR 83 2HB TYR 83 -6.106 7.300 2.171 558 HD1 TYR 83 1HD TYR 83 -6.237 7.520 5.845 559 HD2 TYR 83 2HD TYR 83 -3.753 7.581 2.395 560 HE1 TYR 83 1HE TYR 83 -4.255 7.259 7.274 561 HE2 TYR 83 2HE TYR 83 -1.761 7.327 3.813 562 HH TYR 83 HH TYR 83 -1.019 7.540 6.007 563 H LEU 84 H LEU 84 -5.702 9.119 0.689 564 HA LEU 84 HA LEU 84 -3.281 10.362 1.529 565 2HB LEU 84 2HB LEU 84 -3.662 10.265 -1.344 566 HG LEU 84 HG LEU 84 -1.820 8.569 -1.248 567 1HD1 LEU 84 1HD1 LEU 84 -1.323 11.166 0.216 568 2HD1 LEU 84 2HD1 LEU 84 -1.347 10.951 -1.533 569 3HD1 LEU 84 3HD1 LEU 84 -0.098 10.168 -0.568 570 1HD2 LEU 84 1HD2 LEU 84 -2.330 7.670 0.980 571 2HD2 LEU 84 2HD2 LEU 84 -1.847 9.204 1.702 572 3HD2 LEU 84 3HD2 LEU 84 -0.659 8.217 0.852 573 H SER 85 H SER 85 -6.107 11.468 -0.272 574 HA SER 85 HA SER 85 -5.327 14.212 0.053 575 2HB SER 85 2HB SER 85 -5.405 13.050 -2.748 576 HG SER 85 HG SER 85 -5.569 15.608 -1.795 Start of MODEL 2 1 HA MET 1 HA MET 1 3.207 31.718 3.438 2 2HB MET 1 2HB MET 1 0.426 32.098 4.578 3 2HG MET 1 2HG MET 1 3.075 31.727 5.955 4 1HE MET 1 1HE MET 1 3.200 31.697 8.604 5 2HE MET 1 2HE MET 1 1.827 30.591 8.666 6 3HE MET 1 3HE MET 1 1.828 32.050 9.656 7 H ASN 2 H ASN 2 3.687 29.678 2.811 8 HA ASN 2 HA ASN 2 1.491 27.794 2.431 9 2HB ASN 2 2HB ASN 2 3.372 26.300 1.546 10 1HD2 ASN 2 1HD2 ASN 2 3.468 26.114 -0.630 11 2HD2 ASN 2 2HD2 ASN 2 2.715 27.240 -1.714 12 H ASN 3 H ASN 3 0.865 27.108 4.387 13 HA ASN 3 HA ASN 3 2.861 25.728 6.040 14 2HB ASN 3 2HB ASN 3 0.876 25.554 7.674 15 1HD2 ASN 3 1HD2 ASN 3 0.917 26.920 9.423 16 2HD2 ASN 3 2HD2 ASN 3 1.956 28.305 9.505 17 H GLN 4 H GLN 4 2.777 24.238 4.053 18 HA GLN 4 HA GLN 4 0.453 22.469 4.069 19 2HB GLN 4 2HB GLN 4 1.400 21.520 2.013 20 2HG GLN 4 2HG GLN 4 1.479 24.527 1.898 21 1HE2 GLN 4 1HE2 GLN 4 -0.426 24.384 -0.255 22 2HE2 GLN 4 2HE2 GLN 4 0.441 23.872 -1.662 23 H VAL 5 H VAL 5 1.399 20.077 3.365 24 HA VAL 5 HA VAL 5 3.033 19.341 5.694 25 HB VAL 5 HB VAL 5 1.853 17.171 5.698 26 1HG1 VAL 5 1HG1 VAL 5 0.053 19.586 5.879 27 2HG1 VAL 5 2HG1 VAL 5 1.087 18.954 7.161 28 3HG1 VAL 5 3HG1 VAL 5 -0.284 18.004 6.585 29 1HG2 VAL 5 1HG2 VAL 5 0.106 18.443 3.591 30 2HG2 VAL 5 2HG2 VAL 5 -0.201 16.902 4.387 31 3HG2 VAL 5 3HG2 VAL 5 1.208 17.088 3.344 32 H GLU 6 H GLU 6 4.188 17.329 5.491 33 HA GLU 6 HA GLU 6 5.740 17.234 3.088 34 2HB GLU 6 2HB GLU 6 6.768 16.952 5.278 35 2HG GLU 6 2HG GLU 6 5.364 14.323 5.538 36 HA PRO 7 HA PRO 7 3.681 13.940 1.004 37 2HB PRO 7 2HB PRO 7 5.387 14.012 -0.556 38 2HG PRO 7 2HG PRO 7 7.624 14.115 0.100 39 2HD PRO 7 2HD PRO 7 6.733 15.921 1.240 40 H ARG 8 H ARG 8 2.766 11.988 1.349 41 HA ARG 8 HA ARG 8 3.667 10.552 3.721 42 2HB ARG 8 2HB ARG 8 1.359 11.291 3.770 43 2HG ARG 8 2HG ARG 8 0.573 9.405 1.612 44 2HD ARG 8 2HD ARG 8 -0.902 10.699 3.322 45 HE ARG 8 HE ARG 8 0.131 12.899 1.932 46 1HH1 ARG 8 1HH1 ARG 8 -2.953 11.660 3.045 47 2HH1 ARG 8 2HH1 ARG 8 -3.719 13.223 3.045 48 1HH2 ARG 8 1HH2 ARG 8 -0.886 14.949 1.917 49 2HH2 ARG 8 2HH2 ARG 8 -2.556 15.069 2.395 50 H LYS 9 H LYS 9 3.121 8.033 3.525 51 HA LYS 9 HA LYS 9 4.125 7.133 0.923 52 2HB LYS 9 2HB LYS 9 5.391 6.478 3.584 53 2HG LYS 9 2HG LYS 9 5.976 5.380 0.855 54 2HD LYS 9 2HD LYS 9 7.595 5.094 3.381 55 2HE LYS 9 2HE LYS 9 7.977 4.022 0.598 56 1HZ LYS 9 1HZ LYS 9 9.802 2.742 1.776 57 2HZ LYS 9 2HZ LYS 9 9.696 3.919 2.999 58 3HZ LYS 9 3HZ LYS 9 10.115 4.373 1.416 59 H LEU 10 H LEU 10 3.770 4.966 0.423 60 HA LEU 10 HA LEU 10 1.857 3.543 2.158 61 2HB LEU 10 2HB LEU 10 0.910 2.582 0.088 62 HG LEU 10 HG LEU 10 0.887 5.595 0.010 63 1HD1 LEU 10 1HD1 LEU 10 -1.279 5.245 -1.136 64 2HD1 LEU 10 2HD1 LEU 10 -0.927 3.520 -1.206 65 3HD1 LEU 10 3HD1 LEU 10 0.103 4.665 -2.061 66 1HD2 LEU 10 1HD2 LEU 10 -0.967 3.653 1.384 67 2HD2 LEU 10 2HD2 LEU 10 -1.162 5.406 1.319 68 3HD2 LEU 10 3HD2 LEU 10 0.204 4.700 2.185 69 H VAL 11 H VAL 11 2.089 1.336 2.355 70 HA VAL 11 HA VAL 11 4.440 0.113 1.064 71 HB VAL 11 HB VAL 11 3.385 -0.402 3.856 72 1HG1 VAL 11 1HG1 VAL 11 5.552 -1.850 2.342 73 2HG1 VAL 11 2HG1 VAL 11 3.978 -2.509 2.788 74 3HG1 VAL 11 3HG1 VAL 11 5.147 -2.090 4.043 75 1HG2 VAL 11 1HG2 VAL 11 6.065 0.595 2.886 76 2HG2 VAL 11 2HG2 VAL 11 5.640 0.246 4.561 77 3HG2 VAL 11 3HG2 VAL 11 4.830 1.555 3.701 78 H VAL 12 H VAL 12 4.053 -1.716 -0.063 79 HA VAL 12 HA VAL 12 1.389 -2.920 0.217 80 HB VAL 12 HB VAL 12 3.379 -3.058 -2.043 81 1HG1 VAL 12 1HG1 VAL 12 1.722 -4.426 -3.224 82 2HG1 VAL 12 2HG1 VAL 12 0.727 -4.460 -1.769 83 3HG1 VAL 12 3HG1 VAL 12 2.313 -5.228 -1.768 84 1HG2 VAL 12 1HG2 VAL 12 1.581 -1.987 -3.325 85 2HG2 VAL 12 2HG2 VAL 12 2.132 -0.995 -1.975 86 3HG2 VAL 12 3HG2 VAL 12 0.616 -1.889 -1.853 87 H TYR 13 H TYR 13 1.331 -4.616 1.510 88 HA TYR 13 HA TYR 13 3.687 -6.300 1.875 89 2HB TYR 13 2HB TYR 13 2.257 -7.463 3.569 90 HD1 TYR 13 1HD TYR 13 0.694 -4.498 4.535 91 HD2 TYR 13 2HD TYR 13 4.550 -6.265 4.218 92 HE1 TYR 13 1HE TYR 13 1.548 -2.932 6.224 93 HE2 TYR 13 2HE TYR 13 5.413 -4.703 5.909 94 HH TYR 13 HH TYR 13 3.371 -2.776 7.838 95 H GLY 14 H GLY 14 4.015 -8.000 0.594 96 1HA GLY 14 1HA GLY 14 1.670 -9.507 -0.339 97 2HA GLY 14 2HA GLY 14 2.814 -8.908 -1.529 98 H ARG 15 H ARG 15 2.221 -11.597 -1.286 99 HA ARG 15 HA ARG 15 4.898 -12.584 -0.807 100 2HB ARG 15 2HB ARG 15 3.929 -13.016 1.354 101 2HG ARG 15 2HG ARG 15 1.647 -14.248 -0.157 102 2HD ARG 15 2HD ARG 15 0.833 -15.157 1.923 103 HE ARG 15 HE ARG 15 3.599 -16.140 1.707 104 1HH1 ARG 15 1HH1 ARG 15 0.162 -16.590 1.171 105 2HH1 ARG 15 2HH1 ARG 15 0.349 -18.170 0.476 106 1HH2 ARG 15 1HH2 ARG 15 3.856 -18.179 0.803 107 2HH2 ARG 15 2HH2 ARG 15 2.470 -19.074 0.246 108 H GLU 16 H GLU 16 5.395 -13.488 -2.660 109 HA GLU 16 HA GLU 16 5.355 -14.714 -4.550 110 2HB GLU 16 2HB GLU 16 4.175 -16.862 -4.471 111 2HG GLU 16 2HG GLU 16 5.260 -16.309 -1.727 112 H GLY 17 H GLY 17 3.246 -12.536 -4.121 113 1HA GLY 17 1HA GLY 17 1.282 -13.411 -6.129 114 2HA GLY 17 2HA GLY 17 1.081 -12.047 -5.036 115 H CYS 18 H CYS 18 3.259 -13.172 -7.594 116 HA CYS 18 HA CYS 18 4.398 -10.682 -8.166 117 2HB CYS 18 2HB CYS 18 4.063 -13.072 -9.994 118 HG CYS 18 HG CYS 18 5.735 -10.194 -10.416 119 H HIS 19 H HIS 19 1.656 -12.363 -9.684 120 HA HIS 19 HA HIS 19 1.333 -10.439 -11.754 121 2HB HIS 19 2HB HIS 19 -0.718 -12.400 -10.709 122 HD1 HIS 19 1HD HIS 19 -2.585 -12.955 -12.396 123 HD2 HIS 19 2HD HIS 19 -0.025 -9.924 -13.647 124 HE1 HIS 19 1HE HIS 19 -3.707 -11.892 -14.378 125 H LEU 20 H LEU 20 -0.377 -11.012 -8.697 126 HA LEU 20 HA LEU 20 -2.242 -8.922 -8.975 127 2HB LEU 20 2HB LEU 20 -1.650 -9.282 -6.219 128 HG LEU 20 HG LEU 20 -3.768 -10.584 -6.160 129 1HD1 LEU 20 1HD1 LEU 20 -3.808 -8.153 -5.996 130 2HD1 LEU 20 2HD1 LEU 20 -5.218 -8.751 -6.872 131 3HD1 LEU 20 3HD1 LEU 20 -3.871 -8.027 -7.755 132 1HD2 LEU 20 1HD2 LEU 20 -5.068 -10.816 -8.210 133 2HD2 LEU 20 2HD2 LEU 20 -3.541 -11.692 -8.327 134 3HD2 LEU 20 3HD2 LEU 20 -3.732 -10.138 -9.142 135 H CYS 21 H CYS 21 1.016 -9.009 -7.658 136 HA CYS 21 HA CYS 21 1.052 -6.431 -6.531 137 2HB CYS 21 2HB CYS 21 3.364 -7.946 -7.767 138 HG CYS 21 HG CYS 21 3.740 -5.061 -7.055 139 H GLU 22 H GLU 22 1.986 -7.598 -9.758 140 HA GLU 22 HA GLU 22 2.839 -5.182 -10.849 141 2HB GLU 22 2HB GLU 22 2.251 -6.204 -13.056 142 2HG GLU 22 2HG GLU 22 3.663 -8.192 -12.912 143 H GLU 23 H GLU 23 -0.400 -6.589 -10.728 144 HA GLU 23 HA GLU 23 -1.674 -4.674 -12.335 145 2HB GLU 23 2HB GLU 23 -3.760 -5.519 -11.391 146 2HG GLU 23 2HG GLU 23 -3.596 -7.841 -11.888 147 H MET 24 H MET 24 -1.380 -4.879 -8.783 148 HA MET 24 HA MET 24 -2.779 -2.453 -8.326 149 2HB MET 24 2HB MET 24 -1.665 -2.507 -6.058 150 2HG MET 24 2HG MET 24 -2.973 -5.100 -6.828 151 1HE MET 24 1HE MET 24 -2.919 -3.011 -2.704 152 2HE MET 24 2HE MET 24 -3.844 -2.408 -4.079 153 3HE MET 24 3HE MET 24 -2.080 -2.370 -4.115 154 H ILE 25 H ILE 25 0.663 -3.193 -8.741 155 HA ILE 25 HA ILE 25 1.681 -0.680 -8.089 156 HB ILE 25 HB ILE 25 2.678 -2.764 -10.021 157 2HG1 ILE 25 2HG1 ILE 25 2.763 -3.324 -7.636 158 1HG2 ILE 25 1HG2 ILE 25 3.441 -0.586 -10.831 159 2HG2 ILE 25 2HG2 ILE 25 4.780 -1.531 -10.178 160 3HG2 ILE 25 3HG2 ILE 25 4.087 -0.214 -9.231 161 1HD1 ILE 25 1HD1 ILE 25 5.144 -3.713 -7.317 162 2HD1 ILE 25 2HD1 ILE 25 5.511 -2.619 -8.654 163 3HD1 ILE 25 3HD1 ILE 25 4.644 -4.125 -8.957 164 H ALA 26 H ALA 26 0.460 -1.890 -11.204 165 HA ALA 26 HA ALA 26 0.968 0.378 -12.744 166 1HB ALA 26 1HB ALA 26 -1.391 -1.487 -12.993 167 2HB ALA 26 2HB ALA 26 0.216 -1.782 -13.658 168 3HB ALA 26 3HB ALA 26 -0.750 -0.431 -14.249 169 H SER 27 H SER 27 -1.830 -0.405 -10.720 170 HA SER 27 HA SER 27 -3.342 1.902 -11.264 171 2HB SER 27 2HB SER 27 -4.511 1.361 -9.127 172 HG SER 27 HG SER 27 -4.098 -0.360 -11.220 173 H LEU 28 H LEU 28 -0.921 1.206 -8.782 174 HA LEU 28 HA LEU 28 -1.218 3.680 -7.415 175 2HB LEU 28 2HB LEU 28 0.892 3.058 -6.295 176 HG LEU 28 HG LEU 28 -0.956 0.685 -6.564 177 1HD1 LEU 28 1HD1 LEU 28 1.170 0.060 -5.589 178 2HD1 LEU 28 2HD1 LEU 28 -0.095 0.055 -4.361 179 3HD1 LEU 28 3HD1 LEU 28 1.056 1.389 -4.435 180 1HD2 LEU 28 1HD2 LEU 28 -2.026 1.557 -4.546 181 2HD2 LEU 28 2HD2 LEU 28 -2.149 2.694 -5.887 182 3HD2 LEU 28 3HD2 LEU 28 -0.975 2.974 -4.601 183 H ARG 29 H ARG 29 0.848 2.584 -10.042 184 HA ARG 29 HA ARG 29 2.605 4.766 -10.157 185 2HB ARG 29 2HB ARG 29 2.802 4.162 -12.604 186 2HG ARG 29 2HG ARG 29 3.626 1.847 -12.262 187 2HD ARG 29 2HD ARG 29 5.384 2.424 -10.664 188 HE ARG 29 HE ARG 29 4.778 4.782 -12.339 189 1HH1 ARG 29 1HH1 ARG 29 6.818 2.069 -11.471 190 2HH1 ARG 29 2HH1 ARG 29 7.989 2.387 -12.714 191 1HH2 ARG 29 1HH2 ARG 29 6.329 5.222 -13.946 192 2HH2 ARG 29 2HH2 ARG 29 7.726 4.209 -14.101 193 H VAL 30 H VAL 30 -0.600 4.281 -11.525 194 HA VAL 30 HA VAL 30 -0.694 6.737 -12.943 195 HB VAL 30 HB VAL 30 -2.977 5.027 -11.939 196 1HG1 VAL 30 1HG1 VAL 30 -4.318 6.172 -13.644 197 2HG1 VAL 30 2HG1 VAL 30 -2.941 7.203 -14.029 198 3HG1 VAL 30 3HG1 VAL 30 -3.702 7.306 -12.441 199 1HG2 VAL 30 1HG2 VAL 30 -1.626 5.114 -14.635 200 2HG2 VAL 30 2HG2 VAL 30 -3.021 4.122 -14.210 201 3HG2 VAL 30 3HG2 VAL 30 -1.461 3.827 -13.442 202 H LEU 31 H LEU 31 -1.827 5.724 -9.742 203 HA LEU 31 HA LEU 31 -3.049 8.195 -9.095 204 2HB LEU 31 2HB LEU 31 -2.034 6.681 -6.813 205 HG LEU 31 HG LEU 31 -4.865 7.218 -7.731 206 1HD1 LEU 31 1HD1 LEU 31 -3.839 6.203 -5.086 207 2HD1 LEU 31 2HD1 LEU 31 -4.679 5.239 -6.301 208 3HD1 LEU 31 3HD1 LEU 31 -5.520 6.560 -5.493 209 1HD2 LEU 31 1HD2 LEU 31 -4.898 8.919 -5.995 210 2HD2 LEU 31 2HD2 LEU 31 -3.637 9.264 -7.179 211 3HD2 LEU 31 3HD2 LEU 31 -3.209 8.581 -5.610 212 H GLN 32 H GLN 32 0.218 6.950 -8.708 213 HA GLN 32 HA GLN 32 1.273 8.928 -7.032 214 2HB GLN 32 2HB GLN 32 3.406 8.371 -8.598 215 2HG GLN 32 2HG GLN 32 2.236 6.478 -6.569 216 1HE2 GLN 32 1HE2 GLN 32 3.768 5.068 -5.583 217 2HE2 GLN 32 2HE2 GLN 32 5.186 4.572 -6.439 218 H LYS 33 H LYS 33 0.357 9.078 -10.357 219 HA LYS 33 HA LYS 33 1.923 11.382 -11.028 220 2HB LYS 33 2HB LYS 33 0.571 11.445 -13.070 221 2HG LYS 33 2HG LYS 33 1.233 8.581 -12.467 222 2HD LYS 33 2HD LYS 33 1.861 8.568 -14.833 223 2HE LYS 33 2HE LYS 33 -0.932 9.581 -14.311 224 1HZ LYS 33 1HZ LYS 33 0.026 7.926 -16.579 225 2HZ LYS 33 2HZ LYS 33 -0.264 9.592 -16.682 226 3HZ LYS 33 3HZ LYS 33 -1.542 8.530 -16.340 227 H LYS 34 H LYS 34 -0.971 10.839 -9.353 228 HA LYS 34 HA LYS 34 -1.890 13.604 -9.733 229 2HB LYS 34 2HB LYS 34 -3.984 12.828 -8.688 230 2HG LYS 34 2HG LYS 34 -3.022 11.138 -10.978 231 2HD LYS 34 2HD LYS 34 -5.816 11.506 -9.898 232 2HE LYS 34 2HE LYS 34 -6.396 9.913 -11.745 233 1HZ LYS 34 1HZ LYS 34 -6.415 11.609 -13.468 234 2HZ LYS 34 2HZ LYS 34 -5.297 12.542 -12.597 235 3HZ LYS 34 3HZ LYS 34 -6.852 12.275 -11.969 236 H SER 35 H SER 35 -1.076 11.203 -7.304 237 HA SER 35 HA SER 35 -0.432 13.317 -5.397 238 2HB SER 35 2HB SER 35 -1.679 12.233 -3.601 239 HG SER 35 HG SER 35 -3.312 13.352 -4.272 240 H TRP 36 H TRP 36 1.586 12.911 -4.677 241 HA TRP 36 HA TRP 36 2.813 10.377 -5.243 242 2HB TRP 36 2HB TRP 36 3.989 12.688 -3.690 243 HD1 TRP 36 HD TRP 36 5.762 11.271 -2.345 244 HE1 TRP 36 1HE TRP 36 7.761 9.796 -3.037 245 HE3 TRP 36 3HE TRP 36 4.793 10.911 -7.354 246 HZ2 TRP 36 2HZ TRP 36 8.773 8.632 -5.396 247 HZ3 TRP 36 3HZ TRP 36 6.326 9.595 -8.761 248 HH2 TRP 36 HH TRP 36 8.274 8.482 -7.799 249 H PHE 37 H PHE 37 3.145 8.729 -3.917 250 HA PHE 37 HA PHE 37 3.022 9.110 -1.031 251 2HB PHE 37 2HB PHE 37 0.766 8.542 -1.405 252 HD1 PHE 37 1HD PHE 37 -0.553 8.536 -3.285 253 HD2 PHE 37 2HD PHE 37 2.345 5.451 -2.814 254 HE1 PHE 37 1HE PHE 37 -1.429 7.403 -5.286 255 HE2 PHE 37 2HE PHE 37 1.470 4.318 -4.802 256 HZ PHE 37 HZ PHE 37 -0.418 5.292 -6.049 257 H GLU 38 H GLU 38 4.965 8.278 -3.260 258 HA GLU 38 HA GLU 38 6.688 6.817 -3.571 259 2HB GLU 38 2HB GLU 38 7.513 5.629 -1.507 260 2HG GLU 38 2HG GLU 38 7.815 7.767 -0.115 261 H LEU 39 H LEU 39 7.305 4.322 -3.029 262 HA LEU 39 HA LEU 39 4.948 2.682 -2.740 263 2HB LEU 39 2HB LEU 39 6.670 2.330 -5.186 264 HG LEU 39 HG LEU 39 5.641 0.257 -4.900 265 1HD1 LEU 39 1HD1 LEU 39 3.338 -0.049 -4.145 266 2HD1 LEU 39 2HD1 LEU 39 3.139 1.699 -4.022 267 3HD1 LEU 39 3HD1 LEU 39 4.271 0.865 -2.960 268 1HD2 LEU 39 1HD2 LEU 39 3.670 1.919 -6.464 269 2HD2 LEU 39 2HD2 LEU 39 3.837 0.163 -6.550 270 3HD2 LEU 39 3HD2 LEU 39 5.153 1.203 -7.100 271 H GLU 40 H GLU 40 5.546 1.431 -1.127 272 HA GLU 40 HA GLU 40 8.258 0.297 -1.140 273 2HB GLU 40 2HB GLU 40 6.252 0.245 1.117 274 2HG GLU 40 2HG GLU 40 8.128 -1.370 1.240 275 H VAL 41 H VAL 41 8.570 -1.894 -1.101 276 HA VAL 41 HA VAL 41 6.185 -3.594 -1.407 277 HB VAL 41 HB VAL 41 8.725 -3.837 -3.041 278 1HG1 VAL 41 1HG1 VAL 41 7.743 -6.006 -2.575 279 2HG1 VAL 41 2HG1 VAL 41 7.474 -5.582 -4.267 280 3HG1 VAL 41 3HG1 VAL 41 6.162 -5.430 -3.100 281 1HG2 VAL 41 1HG2 VAL 41 5.955 -3.000 -3.910 282 2HG2 VAL 41 2HG2 VAL 41 7.350 -3.221 -4.965 283 3HG2 VAL 41 3HG2 VAL 41 7.351 -1.932 -3.760 284 H ILE 42 H ILE 42 6.167 -5.085 0.152 285 HA ILE 42 HA ILE 42 8.760 -6.047 1.160 286 HB ILE 42 HB ILE 42 6.363 -5.330 2.850 287 2HG1 ILE 42 2HG1 ILE 42 7.654 -3.391 2.039 288 1HG2 ILE 42 1HG2 ILE 42 9.043 -6.471 3.639 289 2HG2 ILE 42 2HG2 ILE 42 7.490 -7.301 3.723 290 3HG2 ILE 42 3HG2 ILE 42 7.802 -5.910 4.761 291 1HD1 ILE 42 1HD1 ILE 42 8.285 -2.365 4.129 292 2HD1 ILE 42 2HD1 ILE 42 8.253 -3.939 4.931 293 3HD1 ILE 42 3HD1 ILE 42 6.762 -3.239 4.302 294 H ASN 43 H ASN 43 8.858 -8.097 0.500 295 HA ASN 43 HA ASN 43 6.660 -9.884 0.387 296 2HB ASN 43 2HB ASN 43 8.548 -11.651 0.448 297 1HD2 ASN 43 1HD2 ASN 43 7.442 -12.214 -1.398 298 2HD2 ASN 43 2HD2 ASN 43 7.726 -11.460 -2.923 299 H ILE 44 H ILE 44 5.502 -10.349 2.128 300 HA ILE 44 HA ILE 44 6.690 -10.338 4.764 301 HB ILE 44 HB ILE 44 4.458 -10.784 5.605 302 2HG1 ILE 44 2HG1 ILE 44 3.812 -12.331 3.728 303 1HG2 ILE 44 1HG2 ILE 44 5.065 -8.488 5.035 304 2HG2 ILE 44 2HG2 ILE 44 3.341 -8.779 4.813 305 3HG2 ILE 44 3HG2 ILE 44 4.410 -8.720 3.413 306 1HD1 ILE 44 1HD1 ILE 44 1.824 -10.144 4.298 307 2HD1 ILE 44 2HD1 ILE 44 2.083 -11.597 5.265 308 3HD1 ILE 44 3HD1 ILE 44 1.456 -11.732 3.622 309 H ASP 45 H ASP 45 6.493 -12.583 2.339 310 HA ASP 45 HA ASP 45 5.570 -14.911 3.579 311 2HB ASP 45 2HB ASP 45 7.715 -14.795 1.451 312 H GLY 46 H GLY 46 8.762 -13.419 3.571 313 1HA GLY 46 1HA GLY 46 9.981 -15.650 4.938 314 2HA GLY 46 2HA GLY 46 10.740 -14.111 4.567 315 H ASN 47 H ASN 47 8.075 -13.046 5.932 316 HA ASN 47 HA ASN 47 9.310 -12.994 8.600 317 2HB ASN 47 2HB ASN 47 7.863 -10.952 8.956 318 1HD2 ASN 47 1HD2 ASN 47 8.963 -10.507 5.700 319 2HD2 ASN 47 2HD2 ASN 47 10.438 -9.686 6.088 320 H GLU 48 H GLU 48 8.446 -14.341 9.961 321 HA GLU 48 HA GLU 48 6.092 -15.777 9.516 322 2HB GLU 48 2HB GLU 48 7.566 -15.352 12.124 323 2HG GLU 48 2HG GLU 48 6.865 -17.853 12.357 324 H HIS 49 H HIS 49 6.714 -12.947 11.564 325 HA HIS 49 HA HIS 49 4.157 -13.015 12.811 326 2HB HIS 49 2HB HIS 49 5.984 -10.620 12.568 327 HD1 HIS 49 1HD HIS 49 4.722 -8.656 13.411 328 HD2 HIS 49 2HD HIS 49 3.685 -12.156 15.416 329 HE1 HIS 49 1HE HIS 49 3.044 -7.974 15.155 330 H LEU 50 H LEU 50 5.393 -11.400 9.937 331 HA LEU 50 HA LEU 50 3.101 -9.728 9.598 332 2HB LEU 50 2HB LEU 50 4.009 -9.399 7.286 333 HG LEU 50 HG LEU 50 6.112 -9.081 9.431 334 1HD1 LEU 50 1HD1 LEU 50 6.972 -7.297 7.999 335 2HD1 LEU 50 2HD1 LEU 50 5.762 -7.692 6.778 336 3HD1 LEU 50 3HD1 LEU 50 7.020 -8.860 7.184 337 1HD2 LEU 50 1HD2 LEU 50 4.025 -8.017 10.081 338 2HD2 LEU 50 2HD2 LEU 50 3.937 -7.196 8.524 339 3HD2 LEU 50 3HD2 LEU 50 5.230 -6.802 9.656 340 H THR 51 H THR 51 4.059 -12.907 8.475 341 HA THR 51 HA THR 51 2.027 -13.314 6.575 342 HB THR 51 HB THR 51 3.426 -15.373 8.302 343 HG1 THR 51 1HG THR 51 4.943 -14.208 7.096 344 1HG2 THR 51 1HG2 THR 51 2.896 -16.936 6.489 345 2HG2 THR 51 2HG2 THR 51 2.006 -15.663 5.652 346 3HG2 THR 51 3HG2 THR 51 1.428 -16.267 7.206 347 H ARG 52 H ARG 52 2.078 -13.556 10.051 348 HA ARG 52 HA ARG 52 -0.190 -15.104 10.543 349 2HB ARG 52 2HB ARG 52 -0.271 -13.996 12.730 350 2HG ARG 52 2HG ARG 52 2.107 -14.216 13.451 351 2HD ARG 52 2HD ARG 52 2.303 -16.642 12.820 352 HE ARG 52 HE ARG 52 -0.338 -15.842 13.882 353 1HH1 ARG 52 1HH1 ARG 52 2.772 -17.432 14.202 354 2HH1 ARG 52 2HH1 ARG 52 2.370 -18.182 15.720 355 1HH2 ARG 52 1HH2 ARG 52 -0.864 -16.820 15.892 356 2HH2 ARG 52 2HH2 ARG 52 0.311 -17.835 16.682 357 H LEU 53 H LEU 53 0.162 -11.736 9.704 358 HA LEU 53 HA LEU 53 -2.622 -11.155 10.277 359 2HB LEU 53 2HB LEU 53 -1.949 -8.847 9.470 360 HG LEU 53 HG LEU 53 -0.442 -10.021 11.802 361 1HD1 LEU 53 1HD1 LEU 53 -0.083 -7.699 12.514 362 2HD1 LEU 53 2HD1 LEU 53 -0.777 -7.129 10.996 363 3HD1 LEU 53 3HD1 LEU 53 0.731 -8.045 10.988 364 1HD2 LEU 53 1HD2 LEU 53 -2.852 -10.074 12.042 365 2HD2 LEU 53 2HD2 LEU 53 -2.959 -8.371 11.594 366 3HD2 LEU 53 3HD2 LEU 53 -2.172 -8.838 13.104 367 H TYR 54 H TYR 54 -0.488 -11.221 7.410 368 HA TYR 54 HA TYR 54 -2.838 -10.409 5.836 369 2HB TYR 54 2HB TYR 54 -1.366 -9.342 4.304 370 HD1 TYR 54 1HD TYR 54 1.419 -8.755 6.203 371 HD2 TYR 54 2HD TYR 54 -2.764 -7.978 6.248 372 HE1 TYR 54 1HE TYR 54 1.804 -6.815 7.658 373 HE2 TYR 54 2HE TYR 54 -2.391 -6.033 7.711 374 HH TYR 54 HH TYR 54 -0.619 -5.262 9.360 375 H ASN 55 H ASN 55 -1.341 -13.229 6.474 376 HA ASN 55 HA ASN 55 -0.315 -14.345 4.222 377 2HB ASN 55 2HB ASN 55 -2.238 -15.741 6.093 378 1HD2 ASN 55 1HD2 ASN 55 -2.995 -17.301 4.696 379 2HD2 ASN 55 2HD2 ASN 55 -1.959 -18.462 3.924 380 H ASP 56 H ASP 56 -3.829 -14.410 4.928 381 HA ASP 56 HA ASP 56 -4.250 -15.449 2.227 382 2HB ASP 56 2HB ASP 56 -6.555 -15.956 3.035 383 H ARG 57 H ARG 57 -4.092 -12.493 3.554 384 HA ARG 57 HA ARG 57 -6.028 -11.405 1.633 385 2HB ARG 57 2HB ARG 57 -6.515 -9.569 3.252 386 2HG ARG 57 2HG ARG 57 -7.153 -12.289 4.378 387 2HD ARG 57 2HD ARG 57 -8.413 -9.589 4.849 388 HE ARG 57 HE ARG 57 -9.771 -11.891 4.983 389 1HH1 ARG 57 1HH1 ARG 57 -8.519 -9.754 7.472 390 2HH1 ARG 57 2HH1 ARG 57 -9.764 -10.162 8.614 391 1HH2 ARG 57 1HH2 ARG 57 -11.407 -12.428 6.512 392 2HH2 ARG 57 2HH2 ARG 57 -11.392 -11.657 8.076 393 H VAL 58 H VAL 58 -3.590 -11.630 0.721 394 HA VAL 58 HA VAL 58 -1.838 -9.623 1.767 395 HB VAL 58 HB VAL 58 -0.487 -10.485 -0.410 396 1HG1 VAL 58 1HG1 VAL 58 -0.620 -11.756 2.315 397 2HG1 VAL 58 2HG1 VAL 58 0.366 -10.371 1.844 398 3HG1 VAL 58 3HG1 VAL 58 0.698 -11.965 1.162 399 1HG2 VAL 58 1HG2 VAL 58 -2.166 -12.076 -1.096 400 2HG2 VAL 58 2HG2 VAL 58 -2.190 -12.795 0.516 401 3HG2 VAL 58 3HG2 VAL 58 -0.752 -12.941 -0.493 402 HA PRO 59 HA PRO 59 -0.138 -7.365 -1.543 403 2HB PRO 59 2HB PRO 59 -0.930 -6.839 -3.684 404 2HG PRO 59 2HG PRO 59 -0.400 -9.025 -4.061 405 2HD PRO 59 2HD PRO 59 -0.222 -10.088 -2.057 406 H VAL 60 H VAL 60 -0.792 -6.694 0.726 407 HA VAL 60 HA VAL 60 -3.250 -5.131 0.902 408 HB VAL 60 HB VAL 60 -1.580 -5.189 3.309 409 1HG1 VAL 60 1HG1 VAL 60 -4.388 -6.132 2.753 410 2HG1 VAL 60 2HG1 VAL 60 -3.933 -4.505 3.265 411 3HG1 VAL 60 3HG1 VAL 60 -3.671 -5.878 4.343 412 1HG2 VAL 60 1HG2 VAL 60 -1.932 -7.540 3.831 413 2HG2 VAL 60 2HG2 VAL 60 -0.914 -7.357 2.401 414 3HG2 VAL 60 3HG2 VAL 60 -2.619 -7.797 2.225 415 H LEU 61 H LEU 61 -3.301 -3.012 0.887 416 HA LEU 61 HA LEU 61 -0.771 -1.590 0.623 417 2HB LEU 61 2HB LEU 61 -3.566 -0.543 0.174 418 HG LEU 61 HG LEU 61 -2.330 0.800 -1.643 419 1HD1 LEU 61 1HD1 LEU 61 -1.844 2.595 -0.034 420 2HD1 LEU 61 2HD1 LEU 61 -2.014 1.437 1.282 421 3HD1 LEU 61 3HD1 LEU 61 -3.398 1.820 0.260 422 1HD2 LEU 61 1HD2 LEU 61 -0.011 1.359 -1.098 423 2HD2 LEU 61 2HD2 LEU 61 -0.183 -0.355 -1.478 424 3HD2 LEU 61 3HD2 LEU 61 -0.026 0.165 0.200 425 H PHE 62 H PHE 62 0.070 -0.910 2.422 426 HA PHE 62 HA PHE 62 -1.614 -0.301 4.740 427 2HB PHE 62 2HB PHE 62 1.323 -0.949 4.419 428 HD1 PHE 62 1HD PHE 62 -0.942 -1.408 7.306 429 HD2 PHE 62 2HD PHE 62 2.492 0.571 5.767 430 HE1 PHE 62 1HE PHE 62 -0.379 -0.627 9.571 431 HE2 PHE 62 2HE PHE 62 3.059 1.358 8.024 432 HZ PHE 62 HZ PHE 62 1.624 0.758 9.932 433 H ALA 63 H ALA 63 -1.651 1.647 5.712 434 HA ALA 63 HA ALA 63 -0.431 3.888 4.329 435 1HB ALA 63 1HB ALA 63 -1.759 5.274 5.830 436 2HB ALA 63 2HB ALA 63 -2.247 3.842 6.737 437 3HB ALA 63 3HB ALA 63 -2.763 4.042 5.062 438 H VAL 64 H VAL 64 1.585 4.406 4.810 439 HA VAL 64 HA VAL 64 2.886 3.602 7.229 440 HB VAL 64 HB VAL 64 3.851 5.549 5.118 441 1HG1 VAL 64 1HG1 VAL 64 5.393 3.888 7.110 442 2HG1 VAL 64 2HG1 VAL 64 5.182 5.639 7.163 443 3HG1 VAL 64 3HG1 VAL 64 6.098 4.900 5.846 444 1HG2 VAL 64 1HG2 VAL 64 4.964 3.630 4.092 445 2HG2 VAL 64 2HG2 VAL 64 3.213 3.426 4.113 446 3HG2 VAL 64 3HG2 VAL 64 4.216 2.562 5.279 447 H ASN 65 H ASN 65 3.803 5.003 8.810 448 HA ASN 65 HA ASN 65 4.055 6.814 10.148 449 2HB ASN 65 2HB ASN 65 3.164 9.048 9.502 450 1HD2 ASN 65 1HD2 ASN 65 3.662 9.596 6.695 451 2HD2 ASN 65 2HD2 ASN 65 5.354 9.336 6.435 452 H GLU 66 H GLU 66 0.756 6.547 8.838 453 HA GLU 66 HA GLU 66 -0.345 7.275 11.426 454 2HB GLU 66 2HB GLU 66 -1.839 6.419 8.944 455 2HG GLU 66 2HG GLU 66 -2.664 8.065 11.323 456 H ASP 67 H ASP 67 0.409 4.449 9.646 457 HA ASP 67 HA ASP 67 0.380 2.250 10.153 458 2HB ASP 67 2HB ASP 67 -0.009 1.635 12.610 459 H LYS 68 H LYS 68 -1.443 2.052 8.768 460 HA LYS 68 HA LYS 68 -3.422 0.446 10.016 461 2HB LYS 68 2HB LYS 68 -4.565 2.499 10.487 462 2HG LYS 68 2HG LYS 68 -3.894 3.236 7.675 463 2HD LYS 68 2HD LYS 68 -6.307 3.406 7.714 464 2HE LYS 68 2HE LYS 68 -6.657 3.480 10.146 465 1HZ LYS 68 1HZ LYS 68 -5.464 6.172 9.861 466 2HZ LYS 68 2HZ LYS 68 -5.056 4.946 10.966 467 3HZ LYS 68 3HZ LYS 68 -6.510 5.794 11.141 468 H GLU 69 H GLU 69 -4.212 -1.031 8.595 469 HA GLU 69 HA GLU 69 -3.197 -1.029 5.913 470 2HB GLU 69 2HB GLU 69 -4.335 -3.133 5.641 471 2HG GLU 69 2HG GLU 69 -2.411 -2.975 7.409 472 H LEU 70 H LEU 70 -4.136 -0.169 4.160 473 HA LEU 70 HA LEU 70 -6.780 1.030 4.482 474 2HB LEU 70 2HB LEU 70 -6.283 2.229 2.413 475 HG LEU 70 HG LEU 70 -3.883 2.387 4.236 476 1HD1 LEU 70 1HD1 LEU 70 -3.709 4.663 3.292 477 2HD1 LEU 70 2HD1 LEU 70 -4.997 4.259 2.150 478 3HD1 LEU 70 3HD1 LEU 70 -3.461 3.395 2.090 479 1HD2 LEU 70 1HD2 LEU 70 -5.991 2.754 5.434 480 2HD2 LEU 70 2HD2 LEU 70 -6.454 3.967 4.240 481 3HD2 LEU 70 3HD2 LEU 70 -5.059 4.244 5.284 482 H CYS 71 H CYS 71 -5.207 -0.296 1.629 483 HA CYS 71 HA CYS 71 -7.734 -1.626 0.952 484 2HB CYS 71 2HB CYS 71 -7.002 -1.434 -1.390 485 HG CYS 71 HG CYS 71 -8.147 0.930 0.313 486 H HIS 72 H HIS 72 -7.236 -3.462 -0.712 487 HA HIS 72 HA HIS 72 -4.937 -5.051 0.203 488 2HB HIS 72 2HB HIS 72 -6.733 -6.045 1.402 489 HD1 HIS 72 1HD HIS 72 -8.136 -6.292 -2.165 490 HD2 HIS 72 2HD HIS 72 -9.370 -5.597 1.752 491 HE1 HIS 72 1HE HIS 72 -10.628 -6.000 -2.276 492 H TYR 73 H TYR 73 -5.130 -7.214 -1.375 493 HA TYR 73 HA TYR 73 -4.307 -6.574 -3.875 494 2HB TYR 73 2HB TYR 73 -4.254 -8.860 -2.996 495 HD1 TYR 73 1HD TYR 73 -5.825 -9.069 -1.017 496 HD2 TYR 73 2HD TYR 73 -7.060 -9.650 -5.033 497 HE1 TYR 73 1HE TYR 73 -7.798 -10.311 -0.220 498 HE2 TYR 73 2HE TYR 73 -9.036 -10.888 -4.268 499 HH TYR 73 HH TYR 73 -9.859 -12.069 -2.376 500 H PHE 74 H PHE 74 -5.157 -5.954 -5.767 501 HA PHE 74 HA PHE 74 -6.585 -4.969 -7.219 502 2HB PHE 74 2HB PHE 74 -9.059 -5.444 -7.040 503 HD1 PHE 74 1HD PHE 74 -8.209 -6.082 -9.269 504 HD2 PHE 74 2HD PHE 74 -7.794 -8.631 -5.888 505 HE1 PHE 74 1HE PHE 74 -7.766 -7.982 -10.766 506 HE2 PHE 74 2HE PHE 74 -7.355 -10.539 -7.379 507 HZ PHE 74 HZ PHE 74 -7.336 -10.216 -9.821 508 H LEU 75 H LEU 75 -6.403 -2.892 -6.958 509 HA LEU 75 HA LEU 75 -6.481 -1.522 -4.562 510 2HB LEU 75 2HB LEU 75 -7.005 -0.264 -7.243 511 HG LEU 75 HG LEU 75 -6.969 1.306 -5.331 512 1HD1 LEU 75 1HD1 LEU 75 -5.476 -0.003 -3.880 513 2HD1 LEU 75 2HD1 LEU 75 -4.909 1.654 -4.095 514 3HD1 LEU 75 3HD1 LEU 75 -4.136 0.337 -4.976 515 1HD2 LEU 75 1HD2 LEU 75 -6.218 2.034 -7.535 516 2HD2 LEU 75 2HD2 LEU 75 -4.582 1.479 -7.167 517 3HD2 LEU 75 3HD2 LEU 75 -5.284 2.819 -6.259 518 H ASP 76 H ASP 76 -8.091 -0.945 -3.282 519 HA ASP 76 HA ASP 76 -10.835 -1.045 -4.117 520 2HB ASP 76 2HB ASP 76 -11.308 -0.289 -1.789 521 H SER 77 H SER 77 -8.400 1.355 -3.857 522 HA SER 77 HA SER 77 -8.226 3.432 -4.706 523 2HB SER 77 2HB SER 77 -9.852 4.281 -6.276 524 HG SER 77 HG SER 77 -10.218 1.759 -7.100 525 H ASP 78 H ASP 78 -11.602 3.186 -3.481 526 HA ASP 78 HA ASP 78 -11.780 5.857 -2.674 527 2HB ASP 78 2HB ASP 78 -13.528 4.952 -0.995 528 H VAL 79 H VAL 79 -10.691 3.035 -0.881 529 HA VAL 79 HA VAL 79 -10.544 4.320 1.625 530 HB VAL 79 HB VAL 79 -9.127 1.829 0.676 531 1HG1 VAL 79 1HG1 VAL 79 -8.901 1.285 3.053 532 2HG1 VAL 79 2HG1 VAL 79 -9.603 2.848 3.479 533 3HG1 VAL 79 3HG1 VAL 79 -8.044 2.775 2.656 534 1HG2 VAL 79 1HG2 VAL 79 -11.519 1.618 0.503 535 2HG2 VAL 79 2HG2 VAL 79 -11.728 2.267 2.131 536 3HG2 VAL 79 3HG2 VAL 79 -10.964 0.692 1.900 537 H ILE 80 H ILE 80 -8.060 3.724 -0.870 538 HA ILE 80 HA ILE 80 -6.013 4.956 0.692 539 HB ILE 80 HB ILE 80 -5.310 3.419 -1.027 540 2HG1 ILE 80 2HG1 ILE 80 -4.518 6.248 -1.755 541 1HG2 ILE 80 1HG2 ILE 80 -6.456 5.354 -3.014 542 2HG2 ILE 80 2HG2 ILE 80 -7.129 3.774 -2.608 543 3HG2 ILE 80 3HG2 ILE 80 -5.550 3.888 -3.388 544 1HD1 ILE 80 1HD1 ILE 80 -2.684 5.993 -0.239 545 2HD1 ILE 80 2HD1 ILE 80 -3.207 4.361 0.174 546 3HD1 ILE 80 3HD1 ILE 80 -4.198 5.747 0.627 547 H GLY 81 H GLY 81 -8.274 6.100 -1.771 548 1HA GLY 81 1HA GLY 81 -7.285 8.705 -2.067 549 2HA GLY 81 2HA GLY 81 -8.973 8.243 -2.238 550 H ALA 82 H ALA 82 -9.327 7.277 0.400 551 HA ALA 82 HA ALA 82 -9.990 9.633 1.784 552 1HB ALA 82 1HB ALA 82 -11.215 7.563 2.093 553 2HB ALA 82 2HB ALA 82 -10.569 8.114 3.639 554 3HB ALA 82 3HB ALA 82 -9.786 6.788 2.774 555 H TYR 83 H TYR 83 -7.166 7.556 1.875 556 HA TYR 83 HA TYR 83 -6.080 8.901 4.211 557 2HB TYR 83 2HB TYR 83 -5.056 6.675 2.450 558 HD1 TYR 83 1HD TYR 83 -4.157 7.704 5.913 559 HD2 TYR 83 2HD TYR 83 -2.810 7.098 1.916 560 HE1 TYR 83 1HE TYR 83 -1.830 8.021 6.651 561 HE2 TYR 83 2HE TYR 83 -0.485 7.410 2.646 562 HH TYR 83 HH TYR 83 0.468 7.383 5.877 563 H LEU 84 H LEU 84 -5.630 8.845 0.733 564 HA LEU 84 HA LEU 84 -3.206 10.403 0.832 565 2HB LEU 84 2HB LEU 84 -4.195 10.383 -1.798 566 HG LEU 84 HG LEU 84 -2.528 8.510 -2.160 567 1HD1 LEU 84 1HD1 LEU 84 -1.942 10.859 -2.462 568 2HD1 LEU 84 2HD1 LEU 84 -0.592 9.960 -1.770 569 3HD1 LEU 84 3HD1 LEU 84 -1.578 10.998 -0.743 570 1HD2 LEU 84 1HD2 LEU 84 -1.958 8.999 0.757 571 2HD2 LEU 84 2HD2 LEU 84 -1.003 8.000 -0.339 572 3HD2 LEU 84 3HD2 LEU 84 -2.652 7.529 0.070 573 H SER 85 H SER 85 -6.050 11.388 1.639 574 HA SER 85 HA SER 85 -6.347 13.747 0.030 575 2HB SER 85 2HB SER 85 -8.060 14.382 1.662 576 HG SER 85 HG SER 85 -7.983 11.780 0.629 Start of MODEL 3 1 HA MET 1 HA MET 1 4.721 30.785 7.399 2 2HB MET 1 2HB MET 1 5.462 31.115 5.026 3 2HG MET 1 2HG MET 1 4.184 32.899 6.221 4 1HE MET 1 1HE MET 1 3.949 35.348 7.158 5 2HE MET 1 2HE MET 1 4.884 35.927 5.784 6 3HE MET 1 3HE MET 1 5.313 36.439 7.417 7 H ASN 2 H ASN 2 4.495 28.701 6.804 8 HA ASN 2 HA ASN 2 6.724 27.211 5.769 9 2HB ASN 2 2HB ASN 2 7.151 26.941 8.155 10 1HD2 ASN 2 1HD2 ASN 2 6.007 24.542 9.390 11 2HD2 ASN 2 2HD2 ASN 2 4.579 25.072 10.218 12 H ASN 3 H ASN 3 5.523 26.875 3.943 13 HA ASN 3 HA ASN 3 3.042 25.379 4.172 14 2HB ASN 3 2HB ASN 3 2.906 26.813 2.329 15 1HD2 ASN 3 1HD2 ASN 3 4.315 28.480 2.181 16 2HD2 ASN 3 2HD2 ASN 3 5.787 28.422 1.267 17 H GLN 4 H GLN 4 3.966 23.649 5.354 18 HA GLN 4 HA GLN 4 6.022 22.056 4.079 19 2HB GLN 4 2HB GLN 4 4.534 21.500 6.648 20 2HG GLN 4 2HG GLN 4 7.251 20.599 5.714 21 1HE2 GLN 4 1HE2 GLN 4 5.093 18.921 7.838 22 2HE2 GLN 4 2HE2 GLN 4 6.048 19.086 9.270 23 H VAL 5 H VAL 5 5.175 21.070 2.325 24 HA VAL 5 HA VAL 5 2.725 19.534 2.565 25 HB VAL 5 HB VAL 5 3.028 19.041 0.167 26 1HG1 VAL 5 1HG1 VAL 5 1.772 21.007 0.837 27 2HG1 VAL 5 2HG1 VAL 5 2.662 21.326 -0.650 28 3HG1 VAL 5 3HG1 VAL 5 3.253 21.962 0.884 29 1HG2 VAL 5 1HG2 VAL 5 5.457 20.823 0.365 30 2HG2 VAL 5 2HG2 VAL 5 4.799 20.111 -1.111 31 3HG2 VAL 5 3HG2 VAL 5 5.488 19.074 0.143 32 H GLU 6 H GLU 6 2.638 17.406 2.782 33 HA GLU 6 HA GLU 6 5.095 15.839 2.493 34 2HB GLU 6 2HB GLU 6 4.651 14.718 4.638 35 2HG GLU 6 2HG GLU 6 4.798 17.715 4.893 36 HA PRO 7 HA PRO 7 2.267 12.984 0.645 37 2HB PRO 7 2HB PRO 7 4.200 12.290 -0.441 38 2HG PRO 7 2HG PRO 7 6.207 12.040 0.696 39 2HD PRO 7 2HD PRO 7 5.792 14.162 1.438 40 H ARG 8 H ARG 8 1.600 10.585 0.973 41 HA ARG 8 HA ARG 8 0.927 10.280 3.803 42 2HB ARG 8 2HB ARG 8 -0.798 8.751 3.036 43 2HG ARG 8 2HG ARG 8 -2.116 10.126 1.494 44 2HD ARG 8 2HD ARG 8 -0.703 11.778 3.583 45 HE ARG 8 HE ARG 8 -2.561 12.688 1.867 46 1HH1 ARG 8 1HH1 ARG 8 -2.689 11.966 5.295 47 2HH1 ARG 8 2HH1 ARG 8 -3.923 13.142 5.622 48 1HH2 ARG 8 1HH2 ARG 8 -4.191 14.217 2.300 49 2HH2 ARG 8 2HH2 ARG 8 -4.793 14.399 3.917 50 H LYS 9 H LYS 9 2.323 8.539 1.093 51 HA LYS 9 HA LYS 9 3.798 6.852 0.914 52 2HB LYS 9 2HB LYS 9 4.144 6.671 3.876 53 2HG LYS 9 2HG LYS 9 6.553 6.482 3.227 54 2HD LYS 9 2HD LYS 9 4.598 4.439 2.188 55 2HE LYS 9 2HE LYS 9 6.807 4.213 1.098 56 1HZ LYS 9 1HZ LYS 9 8.323 5.006 2.709 57 2HZ LYS 9 2HZ LYS 9 8.617 3.338 2.564 58 3HZ LYS 9 3HZ LYS 9 7.754 3.928 3.891 59 H LEU 10 H LEU 10 2.924 5.067 0.236 60 HA LEU 10 HA LEU 10 1.203 3.509 2.038 61 2HB LEU 10 2HB LEU 10 0.635 2.301 -0.158 62 HG LEU 10 HG LEU 10 -0.211 5.189 0.098 63 1HD1 LEU 10 1HD1 LEU 10 -0.607 4.336 -2.145 64 2HD1 LEU 10 2HD1 LEU 10 -2.129 4.502 -1.267 65 3HD1 LEU 10 3HD1 LEU 10 -1.401 2.908 -1.477 66 1HD2 LEU 10 1HD2 LEU 10 -2.184 4.277 1.200 67 2HD2 LEU 10 2HD2 LEU 10 -0.720 3.822 2.076 68 3HD2 LEU 10 3HD2 LEU 10 -1.532 2.645 1.041 69 H VAL 11 H VAL 11 1.873 1.628 2.787 70 HA VAL 11 HA VAL 11 4.153 0.319 1.472 71 HB VAL 11 HB VAL 11 3.071 0.006 4.278 72 1HG1 VAL 11 1HG1 VAL 11 5.245 -1.609 2.947 73 2HG1 VAL 11 2HG1 VAL 11 3.625 -2.201 3.317 74 3HG1 VAL 11 3HG1 VAL 11 4.722 -1.742 4.626 75 1HG2 VAL 11 1HG2 VAL 11 4.581 1.897 3.930 76 2HG2 VAL 11 2HG2 VAL 11 5.788 0.817 3.233 77 3HG2 VAL 11 3HG2 VAL 11 5.335 0.658 4.930 78 H VAL 12 H VAL 12 3.850 -1.520 0.433 79 HA VAL 12 HA VAL 12 1.228 -2.822 0.685 80 HB VAL 12 HB VAL 12 3.194 -3.053 -1.595 81 1HG1 VAL 12 1HG1 VAL 12 0.353 -3.997 -1.326 82 2HG1 VAL 12 2HG1 VAL 12 1.794 -5.013 -1.285 83 3HG1 VAL 12 3HG1 VAL 12 1.362 -4.151 -2.765 84 1HG2 VAL 12 1HG2 VAL 12 0.639 -1.475 -1.445 85 2HG2 VAL 12 2HG2 VAL 12 1.655 -1.674 -2.873 86 3HG2 VAL 12 3HG2 VAL 12 2.270 -0.805 -1.467 87 H TYR 13 H TYR 13 1.408 -4.425 2.121 88 HA TYR 13 HA TYR 13 3.798 -5.999 2.388 89 2HB TYR 13 2HB TYR 13 2.416 -7.406 3.907 90 HD1 TYR 13 1HD TYR 13 4.438 -6.046 4.906 91 HD2 TYR 13 2HD TYR 13 0.417 -4.655 4.799 92 HE1 TYR 13 1HE TYR 13 4.932 -4.492 6.747 93 HE2 TYR 13 2HE TYR 13 0.901 -3.098 6.636 94 HH TYR 13 HH TYR 13 4.043 -2.361 7.654 95 H GLY 14 H GLY 14 4.370 -7.571 1.037 96 1HA GLY 14 1HA GLY 14 2.266 -9.133 -0.285 97 2HA GLY 14 2HA GLY 14 3.454 -8.308 -1.284 98 H ARG 15 H ARG 15 3.920 -10.462 -2.060 99 HA ARG 15 HA ARG 15 6.200 -11.553 -0.748 100 2HB ARG 15 2HB ARG 15 4.492 -12.712 0.549 101 2HG ARG 15 2HG ARG 15 3.477 -13.853 -2.044 102 2HD ARG 15 2HD ARG 15 1.777 -14.893 -0.644 103 HE ARG 15 HE ARG 15 4.409 -15.756 -0.643 104 1HH1 ARG 15 1HH1 ARG 15 1.576 -16.098 1.399 105 2HH1 ARG 15 2HH1 ARG 15 2.057 -17.643 2.026 106 1HH2 ARG 15 1HH2 ARG 15 5.046 -17.784 0.179 107 2HH2 ARG 15 2HH2 ARG 15 4.044 -18.589 1.347 108 H GLU 16 H GLU 16 6.663 -13.803 -2.052 109 HA GLU 16 HA GLU 16 7.142 -12.987 -4.714 110 2HB GLU 16 2HB GLU 16 8.070 -15.190 -5.035 111 2HG GLU 16 2HG GLU 16 8.526 -14.254 -2.213 112 H GLY 17 H GLY 17 5.518 -12.689 -6.112 113 1HA GLY 17 1HA GLY 17 4.217 -14.068 -7.737 114 2HA GLY 17 2HA GLY 17 3.477 -14.813 -6.327 115 H CYS 18 H CYS 18 1.394 -14.219 -6.847 116 HA CYS 18 HA CYS 18 -0.471 -12.975 -6.550 117 2HB CYS 18 2HB CYS 18 -0.362 -10.802 -5.395 118 HG CYS 18 HG CYS 18 1.159 -13.508 -4.090 119 H HIS 19 H HIS 19 -1.059 -12.873 -8.644 120 HA HIS 19 HA HIS 19 0.008 -11.229 -10.648 121 2HB HIS 19 2HB HIS 19 -2.904 -12.008 -10.442 122 HD1 HIS 19 1HD HIS 19 -1.775 -13.604 -13.287 123 HD2 HIS 19 2HD HIS 19 -2.415 -9.581 -12.409 124 HE1 HIS 19 1HE HIS 19 -2.095 -12.460 -15.503 125 H LEU 20 H LEU 20 -2.511 -10.647 -8.259 126 HA LEU 20 HA LEU 20 -3.432 -8.184 -9.239 127 2HB LEU 20 2HB LEU 20 -4.210 -7.850 -6.836 128 HG LEU 20 HG LEU 20 -4.995 -10.459 -8.149 129 1HD1 LEU 20 1HD1 LEU 20 -7.046 -10.263 -6.872 130 2HD1 LEU 20 2HD1 LEU 20 -6.468 -8.776 -6.119 131 3HD1 LEU 20 3HD1 LEU 20 -5.661 -10.310 -5.784 132 1HD2 LEU 20 1HD2 LEU 20 -6.831 -9.171 -9.110 133 2HD2 LEU 20 2HD2 LEU 20 -5.269 -8.538 -9.633 134 3HD2 LEU 20 3HD2 LEU 20 -6.187 -7.699 -8.384 135 H CYS 21 H CYS 21 -0.663 -8.981 -7.251 136 HA CYS 21 HA CYS 21 -0.151 -6.458 -6.145 137 2HB CYS 21 2HB CYS 21 1.847 -8.564 -6.996 138 HG CYS 21 HG CYS 21 3.697 -6.808 -6.477 139 H GLU 22 H GLU 22 0.888 -7.889 -9.216 140 HA GLU 22 HA GLU 22 2.430 -5.739 -10.154 141 2HB GLU 22 2HB GLU 22 2.046 -6.722 -12.397 142 2HG GLU 22 2HG GLU 22 2.835 -9.012 -11.985 143 H GLU 23 H GLU 23 -0.993 -6.502 -10.465 144 HA GLU 23 HA GLU 23 -1.662 -4.389 -12.210 145 2HB GLU 23 2HB GLU 23 -3.987 -4.898 -11.593 146 2HG GLU 23 2HG GLU 23 -2.329 -7.401 -11.806 147 H MET 24 H MET 24 -1.697 -4.708 -8.697 148 HA MET 24 HA MET 24 -2.806 -2.211 -8.060 149 2HB MET 24 2HB MET 24 -1.308 -2.477 -5.945 150 2HG MET 24 2HG MET 24 -3.245 -4.699 -6.475 151 1HE MET 24 1HE MET 24 -5.203 -4.377 -4.178 152 2HE MET 24 2HE MET 24 -4.776 -2.667 -4.107 153 3HE MET 24 3HE MET 24 -4.614 -3.682 -2.666 154 H ILE 25 H ILE 25 0.611 -3.167 -8.400 155 HA ILE 25 HA ILE 25 1.740 -0.693 -7.814 156 HB ILE 25 HB ILE 25 2.768 -2.890 -9.604 157 2HG1 ILE 25 2HG1 ILE 25 2.420 -3.480 -7.238 158 1HG2 ILE 25 1HG2 ILE 25 3.843 -0.788 -10.213 159 2HG2 ILE 25 2HG2 ILE 25 4.975 -1.850 -9.375 160 3HG2 ILE 25 3HG2 ILE 25 4.247 -0.490 -8.519 161 1HD1 ILE 25 1HD1 ILE 25 5.354 -3.114 -7.798 162 2HD1 ILE 25 2HD1 ILE 25 4.370 -4.478 -8.335 163 3HD1 ILE 25 3HD1 ILE 25 4.635 -4.204 -6.613 164 H ALA 26 H ALA 26 0.772 -2.008 -10.977 165 HA ALA 26 HA ALA 26 1.584 0.207 -12.514 166 1HB ALA 26 1HB ALA 26 1.069 -1.954 -13.514 167 2HB ALA 26 2HB ALA 26 0.096 -0.676 -14.244 168 3HB ALA 26 3HB ALA 26 -0.626 -1.768 -13.063 169 H SER 27 H SER 27 -1.318 -0.440 -10.692 170 HA SER 27 HA SER 27 -2.840 1.751 -11.697 171 2HB SER 27 2HB SER 27 -4.312 1.264 -9.728 172 HG SER 27 HG SER 27 -3.469 -1.144 -10.979 173 H LEU 28 H LEU 28 -0.858 1.222 -8.804 174 HA LEU 28 HA LEU 28 -1.413 3.717 -7.592 175 2HB LEU 28 2HB LEU 28 0.561 3.208 -6.180 176 HG LEU 28 HG LEU 28 -1.224 0.809 -6.605 177 1HD1 LEU 28 1HD1 LEU 28 0.512 1.560 -4.260 178 2HD1 LEU 28 2HD1 LEU 28 0.802 0.232 -5.384 179 3HD1 LEU 28 3HD1 LEU 28 -0.609 0.201 -4.327 180 1HD2 LEU 28 1HD2 LEU 28 -2.478 1.723 -4.695 181 2HD2 LEU 28 2HD2 LEU 28 -2.506 2.795 -6.096 182 3HD2 LEU 28 3HD2 LEU 28 -1.451 3.157 -4.729 183 H ARG 29 H ARG 29 1.016 2.675 -9.907 184 HA ARG 29 HA ARG 29 2.744 4.862 -9.834 185 2HB ARG 29 2HB ARG 29 3.080 4.352 -12.316 186 2HG ARG 29 2HG ARG 29 4.013 2.085 -11.945 187 2HD ARG 29 2HD ARG 29 5.667 2.749 -10.268 188 HE ARG 29 HE ARG 29 4.936 4.753 -12.276 189 1HH1 ARG 29 1HH1 ARG 29 7.361 3.300 -10.227 190 2HH1 ARG 29 2HH1 ARG 29 8.698 4.033 -11.050 191 1HH2 ARG 29 1HH2 ARG 29 6.659 5.713 -13.389 192 2HH2 ARG 29 2HH2 ARG 29 8.302 5.387 -12.898 193 H VAL 30 H VAL 30 -0.308 4.444 -11.543 194 HA VAL 30 HA VAL 30 -0.181 6.873 -12.987 195 HB VAL 30 HB VAL 30 -2.606 5.242 -12.222 196 1HG1 VAL 30 1HG1 VAL 30 -3.211 7.511 -12.890 197 2HG1 VAL 30 2HG1 VAL 30 -3.700 6.340 -14.117 198 3HG1 VAL 30 3HG1 VAL 30 -2.265 7.337 -14.370 199 1HG2 VAL 30 1HG2 VAL 30 -0.885 5.198 -14.700 200 2HG2 VAL 30 2HG2 VAL 30 -2.383 4.292 -14.479 201 3HG2 VAL 30 3HG2 VAL 30 -0.979 3.937 -13.470 202 H LEU 31 H LEU 31 -1.623 6.002 -9.860 203 HA LEU 31 HA LEU 31 -2.818 8.550 -9.446 204 2HB LEU 31 2HB LEU 31 -2.483 7.599 -6.926 205 HG LEU 31 HG LEU 31 -4.617 6.515 -8.756 206 1HD1 LEU 31 1HD1 LEU 31 -4.489 5.441 -6.569 207 2HD1 LEU 31 2HD1 LEU 31 -5.941 6.429 -6.707 208 3HD1 LEU 31 3HD1 LEU 31 -4.558 7.019 -5.785 209 1HD2 LEU 31 1HD2 LEU 31 -4.541 8.919 -9.012 210 2HD2 LEU 31 2HD2 LEU 31 -4.502 9.136 -7.262 211 3HD2 LEU 31 3HD2 LEU 31 -5.941 8.473 -8.039 212 H GLN 32 H GLN 32 0.323 7.190 -8.681 213 HA GLN 32 HA GLN 32 1.268 9.156 -6.935 214 2HB GLN 32 2HB GLN 32 3.541 8.503 -8.183 215 2HG GLN 32 2HG GLN 32 1.982 6.605 -6.443 216 1HE2 GLN 32 1HE2 GLN 32 3.286 5.066 -5.303 217 2HE2 GLN 32 2HE2 GLN 32 4.757 4.489 -5.996 218 H LYS 33 H LYS 33 0.620 9.325 -10.302 219 HA LYS 33 HA LYS 33 2.369 11.524 -10.860 220 2HB LYS 33 2HB LYS 33 1.238 11.598 -13.023 221 2HG LYS 33 2HG LYS 33 1.633 8.714 -12.313 222 2HD LYS 33 2HD LYS 33 2.639 8.652 -14.555 223 2HE LYS 33 2HE LYS 33 -0.128 9.854 -14.568 224 1HZ LYS 33 1HZ LYS 33 1.206 8.021 -16.492 225 2HZ LYS 33 2HZ LYS 33 0.859 9.657 -16.774 226 3HZ LYS 33 3HZ LYS 33 -0.404 8.547 -16.584 227 H LYS 34 H LYS 34 -0.701 11.219 -9.416 228 HA LYS 34 HA LYS 34 -1.211 14.102 -9.786 229 2HB LYS 34 2HB LYS 34 -3.474 13.673 -8.924 230 2HG LYS 34 2HG LYS 34 -2.858 13.175 -11.417 231 2HD LYS 34 2HD LYS 34 -3.585 10.462 -10.321 232 2HE LYS 34 2HE LYS 34 -3.603 9.709 -12.647 233 1HZ LYS 34 1HZ LYS 34 -5.496 11.939 -12.117 234 2HZ LYS 34 2HZ LYS 34 -5.717 10.312 -11.702 235 3HZ LYS 34 3HZ LYS 34 -5.682 10.772 -13.334 236 H SER 35 H SER 35 -0.948 11.515 -7.427 237 HA SER 35 HA SER 35 -0.286 13.474 -5.357 238 2HB SER 35 2HB SER 35 -1.767 12.333 -3.754 239 HG SER 35 HG SER 35 -2.574 13.795 -5.823 240 H TRP 36 H TRP 36 1.727 12.926 -4.843 241 HA TRP 36 HA TRP 36 2.738 10.291 -5.239 242 2HB TRP 36 2HB TRP 36 4.029 12.579 -3.737 243 HD1 TRP 36 HD TRP 36 5.633 11.134 -2.223 244 HE1 TRP 36 1HE TRP 36 7.549 9.480 -2.735 245 HE3 TRP 36 3HE TRP 36 4.863 10.536 -7.243 246 HZ2 TRP 36 2HZ TRP 36 8.573 8.112 -4.961 247 HZ3 TRP 36 3HZ TRP 36 6.361 9.033 -8.492 248 HH2 TRP 36 HH TRP 36 8.179 7.850 -7.374 249 H PHE 37 H PHE 37 2.693 8.627 -3.908 250 HA PHE 37 HA PHE 37 2.573 9.112 -1.021 251 2HB PHE 37 2HB PHE 37 0.319 8.604 -1.436 252 HD1 PHE 37 1HD PHE 37 1.860 5.475 -2.831 253 HD2 PHE 37 2HD PHE 37 -0.983 8.611 -3.294 254 HE1 PHE 37 1HE PHE 37 0.975 4.377 -4.843 255 HE2 PHE 37 2HE PHE 37 -1.864 7.520 -5.302 256 HZ PHE 37 HZ PHE 37 -0.890 5.401 -6.085 257 H GLU 38 H GLU 38 4.607 8.155 -3.094 258 HA GLU 38 HA GLU 38 6.331 6.674 -3.183 259 2HB GLU 38 2HB GLU 38 6.887 5.476 -1.012 260 2HG GLU 38 2HG GLU 38 7.206 7.648 0.310 261 H LEU 39 H LEU 39 6.900 4.276 -2.831 262 HA LEU 39 HA LEU 39 4.608 2.530 -2.572 263 2HB LEU 39 2HB LEU 39 6.296 2.377 -5.064 264 HG LEU 39 HG LEU 39 5.334 0.252 -4.839 265 1HD1 LEU 39 1HD1 LEU 39 3.019 -0.133 -4.158 266 2HD1 LEU 39 2HD1 LEU 39 2.779 1.601 -3.958 267 3HD1 LEU 39 3HD1 LEU 39 3.905 0.740 -2.908 268 1HD2 LEU 39 1HD2 LEU 39 3.355 1.921 -6.380 269 2HD2 LEU 39 2HD2 LEU 39 3.580 0.178 -6.532 270 3HD2 LEU 39 3HD2 LEU 39 4.873 1.279 -7.008 271 H GLU 40 H GLU 40 5.290 1.202 -1.052 272 HA GLU 40 HA GLU 40 8.028 0.124 -1.256 273 2HB GLU 40 2HB GLU 40 6.459 0.578 1.285 274 2HG GLU 40 2HG GLU 40 9.321 -0.158 0.775 275 H VAL 41 H VAL 41 8.005 -1.968 -1.711 276 HA VAL 41 HA VAL 41 5.663 -3.561 -0.922 277 HB VAL 41 HB VAL 41 7.684 -4.177 -3.092 278 1HG1 VAL 41 1HG1 VAL 41 6.723 -6.187 -2.125 279 2HG1 VAL 41 2HG1 VAL 41 6.094 -5.930 -3.751 280 3HG1 VAL 41 3HG1 VAL 41 5.098 -5.542 -2.349 281 1HG2 VAL 41 1HG2 VAL 41 5.851 -3.677 -4.661 282 2HG2 VAL 41 2HG2 VAL 41 6.326 -2.265 -3.717 283 3HG2 VAL 41 3HG2 VAL 41 4.854 -3.146 -3.304 284 H ILE 42 H ILE 42 5.985 -4.839 0.767 285 HA ILE 42 HA ILE 42 8.752 -5.662 1.364 286 HB ILE 42 HB ILE 42 6.506 -5.137 3.307 287 2HG1 ILE 42 2HG1 ILE 42 7.449 -3.111 2.239 288 1HG2 ILE 42 1HG2 ILE 42 8.243 -5.423 5.039 289 2HG2 ILE 42 2HG2 ILE 42 9.384 -5.917 3.788 290 3HG2 ILE 42 3HG2 ILE 42 7.959 -6.903 4.123 291 1HD1 ILE 42 1HD1 ILE 42 8.103 -1.869 4.179 292 2HD1 ILE 42 2HD1 ILE 42 8.425 -3.359 5.066 293 3HD1 ILE 42 3HD1 ILE 42 6.775 -2.955 4.596 294 H ASN 43 H ASN 43 9.138 -7.749 1.216 295 HA ASN 43 HA ASN 43 7.131 -9.701 0.802 296 2HB ASN 43 2HB ASN 43 9.118 -11.307 1.185 297 1HD2 ASN 43 1HD2 ASN 43 8.329 -11.932 -0.777 298 2HD2 ASN 43 2HD2 ASN 43 8.825 -11.188 -2.273 299 H ILE 44 H ILE 44 5.755 -10.320 2.349 300 HA ILE 44 HA ILE 44 6.565 -10.395 5.122 301 HB ILE 44 HB ILE 44 4.350 -11.129 5.652 302 2HG1 ILE 44 2HG1 ILE 44 4.269 -12.730 3.638 303 1HG2 ILE 44 1HG2 ILE 44 4.252 -9.091 3.433 304 2HG2 ILE 44 2HG2 ILE 44 4.585 -8.767 5.136 305 3HG2 ILE 44 3HG2 ILE 44 2.994 -9.353 4.642 306 1HD1 ILE 44 1HD1 ILE 44 2.377 -12.525 5.161 307 2HD1 ILE 44 2HD1 ILE 44 1.847 -12.726 3.490 308 3HD1 ILE 44 3HD1 ILE 44 1.789 -11.133 4.248 309 H ASP 45 H ASP 45 6.551 -12.513 2.439 310 HA ASP 45 HA ASP 45 6.256 -15.002 3.725 311 2HB ASP 45 2HB ASP 45 6.034 -14.746 1.302 312 H GLY 46 H GLY 46 8.876 -12.793 3.666 313 1HA GLY 46 1HA GLY 46 10.756 -14.850 4.580 314 2HA GLY 46 2HA GLY 46 11.180 -13.213 4.101 315 H ASN 47 H ASN 47 8.428 -13.261 6.027 316 HA ASN 47 HA ASN 47 9.961 -12.836 8.496 317 2HB ASN 47 2HB ASN 47 8.312 -10.929 8.982 318 1HD2 ASN 47 1HD2 ASN 47 9.461 -10.234 5.776 319 2HD2 ASN 47 2HD2 ASN 47 10.866 -9.350 6.261 320 H GLU 48 H GLU 48 9.246 -14.287 9.898 321 HA GLU 48 HA GLU 48 6.899 -15.772 9.640 322 2HB GLU 48 2HB GLU 48 7.308 -16.417 12.033 323 2HG GLU 48 2HG GLU 48 9.545 -17.403 11.715 324 H HIS 49 H HIS 49 7.569 -12.866 11.550 325 HA HIS 49 HA HIS 49 5.192 -12.852 13.050 326 2HB HIS 49 2HB HIS 49 6.637 -10.356 12.153 327 HD1 HIS 49 1HD HIS 49 6.838 -10.642 15.673 328 HD2 HIS 49 2HD HIS 49 3.809 -9.549 13.030 329 HE1 HIS 49 1HE HIS 49 5.177 -9.335 17.041 330 H LEU 50 H LEU 50 5.945 -11.485 9.876 331 HA LEU 50 HA LEU 50 3.387 -10.200 9.624 332 2HB LEU 50 2HB LEU 50 4.112 -9.783 7.280 333 HG LEU 50 HG LEU 50 6.318 -9.112 9.231 334 1HD1 LEU 50 1HD1 LEU 50 6.903 -8.746 6.890 335 2HD1 LEU 50 2HD1 LEU 50 6.713 -7.218 7.750 336 3HD1 LEU 50 3HD1 LEU 50 5.439 -7.786 6.671 337 1HD2 LEU 50 1HD2 LEU 50 5.100 -7.037 9.634 338 2HD2 LEU 50 2HD2 LEU 50 4.136 -8.436 10.107 339 3HD2 LEU 50 3HD2 LEU 50 3.788 -7.595 8.598 340 H THR 51 H THR 51 4.807 -13.249 8.616 341 HA THR 51 HA THR 51 2.714 -14.043 6.878 342 HB THR 51 HB THR 51 4.610 -15.786 8.473 343 HG1 THR 51 1HG THR 51 5.787 -14.443 7.106 344 1HG2 THR 51 1HG2 THR 51 4.169 -17.474 6.742 345 2HG2 THR 51 2HG2 THR 51 2.985 -16.402 5.996 346 3HG2 THR 51 3HG2 THR 51 2.695 -17.048 7.611 347 H ARG 52 H ARG 52 3.076 -14.011 10.316 348 HA ARG 52 HA ARG 52 0.879 -15.792 10.857 349 2HB ARG 52 2HB ARG 52 1.093 -14.930 13.199 350 2HG ARG 52 2HG ARG 52 3.204 -15.904 13.735 351 2HD ARG 52 2HD ARG 52 2.274 -17.341 11.261 352 HE ARG 52 HE ARG 52 3.214 -18.519 13.794 353 1HH1 ARG 52 1HH1 ARG 52 3.509 -18.137 10.326 354 2HH1 ARG 52 2HH1 ARG 52 4.593 -19.477 10.132 355 1HH2 ARG 52 1HH2 ARG 52 4.622 -20.299 13.553 356 2HH2 ARG 52 2HH2 ARG 52 5.212 -20.728 11.974 357 H LEU 53 H LEU 53 1.405 -12.348 10.568 358 HA LEU 53 HA LEU 53 -1.156 -11.537 11.496 359 2HB LEU 53 2HB LEU 53 -0.568 -9.393 10.287 360 HG LEU 53 HG LEU 53 1.468 -10.478 12.226 361 1HD1 LEU 53 1HD1 LEU 53 2.226 -8.179 12.502 362 2HD1 LEU 53 2HD1 LEU 53 1.128 -7.655 11.226 363 3HD1 LEU 53 3HD1 LEU 53 2.474 -8.726 10.843 364 1HD2 LEU 53 1HD2 LEU 53 -0.787 -10.223 13.112 365 2HD2 LEU 53 2HD2 LEU 53 -0.837 -8.559 12.526 366 3HD2 LEU 53 3HD2 LEU 53 0.297 -9.012 13.802 367 H TYR 54 H TYR 54 0.217 -11.865 8.226 368 HA TYR 54 HA TYR 54 -2.489 -11.434 7.167 369 2HB TYR 54 2HB TYR 54 -1.398 -10.626 5.121 370 HD1 TYR 54 1HD TYR 54 -2.729 -8.746 5.972 371 HD2 TYR 54 2HD TYR 54 1.176 -9.538 7.462 372 HE1 TYR 54 1HE TYR 54 -2.667 -6.510 6.985 373 HE2 TYR 54 2HE TYR 54 1.250 -7.301 8.481 374 HH TYR 54 HH TYR 54 -1.551 -5.304 8.723 375 H ASN 55 H ASN 55 0.494 -13.068 6.120 376 HA ASN 55 HA ASN 55 0.856 -14.729 4.615 377 2HB ASN 55 2HB ASN 55 -1.443 -16.157 5.951 378 1HD2 ASN 55 1HD2 ASN 55 0.406 -18.211 6.726 379 2HD2 ASN 55 2HD2 ASN 55 0.803 -19.100 5.300 380 H ASP 56 H ASP 56 -2.592 -15.501 4.793 381 HA ASP 56 HA ASP 56 -2.720 -15.324 1.889 382 2HB ASP 56 2HB ASP 56 -5.025 -16.329 2.248 383 H ARG 57 H ARG 57 -2.689 -13.012 3.793 384 HA ARG 57 HA ARG 57 -4.915 -11.584 2.537 385 2HB ARG 57 2HB ARG 57 -4.821 -10.120 4.675 386 2HG ARG 57 2HG ARG 57 -6.019 -12.862 4.599 387 2HD ARG 57 2HD ARG 57 -7.390 -12.044 6.575 388 HE ARG 57 HE ARG 57 -4.662 -13.041 6.780 389 1HH1 ARG 57 1HH1 ARG 57 -7.666 -12.345 8.438 390 2HH1 ARG 57 2HH1 ARG 57 -7.430 -13.568 9.655 391 1HH2 ARG 57 1HH2 ARG 57 -4.340 -14.646 8.387 392 2HH2 ARG 57 2HH2 ARG 57 -5.532 -14.866 9.627 393 H VAL 58 H VAL 58 -2.813 -11.519 1.090 394 HA VAL 58 HA VAL 58 -1.006 -9.482 2.046 395 HB VAL 58 HB VAL 58 -0.044 -10.138 -0.428 396 1HG1 VAL 58 1HG1 VAL 58 1.627 -11.442 0.816 397 2HG1 VAL 58 2HG1 VAL 58 0.580 -11.392 2.234 398 3HG1 VAL 58 3HG1 VAL 58 1.258 -9.899 1.585 399 1HG2 VAL 58 1HG2 VAL 58 -1.653 -11.939 -0.712 400 2HG2 VAL 58 2HG2 VAL 58 -1.144 -12.658 0.819 401 3HG2 VAL 58 3HG2 VAL 58 -0.021 -12.584 -0.540 402 HA PRO 59 HA PRO 59 -0.457 -7.014 -1.533 403 2HB PRO 59 2HB PRO 59 -1.639 -6.691 -3.520 404 2HG PRO 59 2HG PRO 59 -0.958 -8.813 -3.959 405 2HD PRO 59 2HD PRO 59 -0.319 -9.827 -2.031 406 H VAL 60 H VAL 60 -0.737 -6.245 0.725 407 HA VAL 60 HA VAL 60 -3.329 -4.993 1.290 408 HB VAL 60 HB VAL 60 -1.791 -4.828 3.612 409 1HG1 VAL 60 1HG1 VAL 60 -3.836 -6.897 2.819 410 2HG1 VAL 60 2HG1 VAL 60 -4.171 -5.311 3.515 411 3HG1 VAL 60 3HG1 VAL 60 -3.332 -6.535 4.470 412 1HG2 VAL 60 1HG2 VAL 60 -0.143 -6.350 2.688 413 2HG2 VAL 60 2HG2 VAL 60 -1.410 -7.523 2.329 414 3HG2 VAL 60 3HG2 VAL 60 -1.030 -7.121 4.003 415 H LEU 61 H LEU 61 -3.485 -2.887 0.985 416 HA LEU 61 HA LEU 61 -1.143 -1.200 0.952 417 2HB LEU 61 2HB LEU 61 -2.906 0.630 0.642 418 HG LEU 61 HG LEU 61 -2.921 -1.575 -1.415 419 1HD1 LEU 61 1HD1 LEU 61 -3.561 1.357 -1.659 420 2HD1 LEU 61 2HD1 LEU 61 -4.725 0.034 -1.732 421 3HD1 LEU 61 3HD1 LEU 61 -3.496 0.197 -2.987 422 1HD2 LEU 61 1HD2 LEU 61 -1.156 -0.226 -2.497 423 2HD2 LEU 61 2HD2 LEU 61 -0.655 -0.904 -0.947 424 3HD2 LEU 61 3HD2 LEU 61 -1.104 0.800 -1.061 425 H PHE 62 H PHE 62 -0.266 -0.880 2.863 426 HA PHE 62 HA PHE 62 -1.925 -0.319 5.188 427 2HB PHE 62 2HB PHE 62 1.052 -0.710 4.829 428 HD1 PHE 62 1HD PHE 62 -1.351 -0.916 7.669 429 HD2 PHE 62 2HD PHE 62 2.297 0.681 6.167 430 HE1 PHE 62 1HE PHE 62 -0.881 0.072 9.871 431 HE2 PHE 62 2HE PHE 62 2.773 1.674 8.364 432 HZ PHE 62 HZ PHE 62 1.181 1.369 10.222 433 H ALA 63 H ALA 63 -2.492 1.659 5.639 434 HA ALA 63 HA ALA 63 -1.351 3.919 4.305 435 1HB ALA 63 1HB ALA 63 -3.301 3.844 6.604 436 2HB ALA 63 2HB ALA 63 -3.736 3.808 4.894 437 3HB ALA 63 3HB ALA 63 -2.946 5.231 5.574 438 H VAL 64 H VAL 64 0.696 4.426 4.869 439 HA VAL 64 HA VAL 64 1.687 4.255 7.555 440 HB VAL 64 HB VAL 64 2.866 5.625 5.120 441 1HG1 VAL 64 1HG1 VAL 64 3.860 6.461 7.176 442 2HG1 VAL 64 2HG1 VAL 64 5.008 5.467 6.277 443 3HG1 VAL 64 3HG1 VAL 64 4.192 4.810 7.698 444 1HG2 VAL 64 1HG2 VAL 64 2.536 3.263 4.712 445 2HG2 VAL 64 2HG2 VAL 64 3.325 2.860 6.236 446 3HG2 VAL 64 3HG2 VAL 64 4.255 3.591 4.928 447 H ASN 65 H ASN 65 2.245 6.030 8.901 448 HA ASN 65 HA ASN 65 1.942 8.037 9.923 449 2HB ASN 65 2HB ASN 65 1.180 9.086 7.184 450 1HD2 ASN 65 1HD2 ASN 65 1.390 11.277 6.909 451 2HD2 ASN 65 2HD2 ASN 65 1.501 12.386 8.231 452 H GLU 66 H GLU 66 -0.213 6.059 9.367 453 HA GLU 66 HA GLU 66 -2.445 7.625 10.346 454 2HB GLU 66 2HB GLU 66 -3.250 5.823 8.161 455 2HG GLU 66 2HG GLU 66 -4.639 7.708 7.465 456 H ASP 67 H ASP 67 -1.303 4.516 9.143 457 HA ASP 67 HA ASP 67 -1.174 2.460 10.055 458 2HB ASP 67 2HB ASP 67 -2.231 3.685 12.610 459 H LYS 68 H LYS 68 -2.804 1.960 8.527 460 HA LYS 68 HA LYS 68 -4.823 0.368 9.649 461 2HB LYS 68 2HB LYS 68 -5.975 2.563 9.949 462 2HG LYS 68 2HG LYS 68 -5.312 2.856 7.115 463 2HD LYS 68 2HD LYS 68 -7.731 2.338 6.971 464 2HE LYS 68 2HE LYS 68 -8.269 3.250 9.267 465 1HZ LYS 68 1HZ LYS 68 -8.373 5.840 7.815 466 2HZ LYS 68 2HZ LYS 68 -7.161 5.433 8.934 467 3HZ LYS 68 3HZ LYS 68 -8.776 5.566 9.441 468 H GLU 69 H GLU 69 -6.101 -0.726 7.955 469 HA GLU 69 HA GLU 69 -4.686 -0.867 5.410 470 2HB GLU 69 2HB GLU 69 -6.341 -2.733 4.962 471 2HG GLU 69 2HG GLU 69 -4.677 -3.034 7.451 472 H LEU 70 H LEU 70 -5.406 0.142 3.606 473 HA LEU 70 HA LEU 70 -7.994 1.458 3.650 474 2HB LEU 70 2HB LEU 70 -7.399 2.279 1.414 475 HG LEU 70 HG LEU 70 -4.954 2.584 3.151 476 1HD1 LEU 70 1HD1 LEU 70 -4.707 3.379 0.878 477 2HD1 LEU 70 2HD1 LEU 70 -4.806 4.745 1.991 478 3HD1 LEU 70 3HD1 LEU 70 -6.205 4.300 1.010 479 1HD2 LEU 70 1HD2 LEU 70 -6.048 4.539 4.114 480 2HD2 LEU 70 2HD2 LEU 70 -6.969 3.075 4.465 481 3HD2 LEU 70 3HD2 LEU 70 -7.514 4.180 3.203 482 H CYS 71 H CYS 71 -6.357 -1.025 1.753 483 HA CYS 71 HA CYS 71 -8.607 -2.721 1.636 484 2HB CYS 71 2HB CYS 71 -7.884 -1.462 -1.021 485 HG CYS 71 HG CYS 71 -10.742 -2.381 -1.560 486 H HIS 72 H HIS 72 -8.084 -4.608 0.107 487 HA HIS 72 HA HIS 72 -5.239 -4.840 -0.443 488 2HB HIS 72 2HB HIS 72 -5.130 -5.735 1.709 489 HD1 HIS 72 1HD HIS 72 -6.482 -5.979 3.755 490 HD2 HIS 72 2HD HIS 72 -8.229 -7.922 0.509 491 HE1 HIS 72 1HE HIS 72 -8.583 -7.035 4.640 492 H TYR 73 H TYR 73 -4.684 -6.367 -1.935 493 HA TYR 73 HA TYR 73 -4.870 -7.788 -3.685 494 2HB TYR 73 2HB TYR 73 -7.028 -9.086 -4.020 495 HD1 TYR 73 1HD TYR 73 -7.073 -9.240 -0.454 496 HD2 TYR 73 2HD TYR 73 -4.846 -10.413 -3.881 497 HE1 TYR 73 1HE TYR 73 -5.935 -10.965 0.883 498 HE2 TYR 73 2HE TYR 73 -3.707 -12.141 -2.560 499 HH TYR 73 HH TYR 73 -4.774 -13.168 0.427 500 H PHE 74 H PHE 74 -7.675 -5.674 -3.263 501 HA PHE 74 HA PHE 74 -7.488 -5.067 -6.119 502 2HB PHE 74 2HB PHE 74 -10.044 -4.613 -5.886 503 HD1 PHE 74 1HD PHE 74 -9.568 -5.496 -8.124 504 HD2 PHE 74 2HD PHE 74 -9.617 -8.015 -4.698 505 HE1 PHE 74 1HE PHE 74 -9.729 -7.467 -9.587 506 HE2 PHE 74 2HE PHE 74 -9.779 -9.994 -6.151 507 HZ PHE 74 HZ PHE 74 -9.834 -9.723 -8.600 508 H LEU 75 H LEU 75 -8.598 -2.901 -6.569 509 HA LEU 75 HA LEU 75 -7.477 -1.115 -4.530 510 2HB LEU 75 2HB LEU 75 -7.584 -0.629 -7.492 511 HG LEU 75 HG LEU 75 -7.142 1.342 -5.955 512 1HD1 LEU 75 1HD1 LEU 75 -4.538 -0.108 -5.543 513 2HD1 LEU 75 2HD1 LEU 75 -5.796 0.070 -4.320 514 3HD1 LEU 75 3HD1 LEU 75 -4.959 1.495 -4.942 515 1HD2 LEU 75 1HD2 LEU 75 -5.302 2.168 -7.331 516 2HD2 LEU 75 2HD2 LEU 75 -6.513 1.339 -8.309 517 3HD2 LEU 75 3HD2 LEU 75 -4.996 0.531 -7.906 518 H ASP 76 H ASP 76 -9.293 -0.435 -3.473 519 HA ASP 76 HA ASP 76 -11.540 0.638 -4.924 520 2HB ASP 76 2HB ASP 76 -12.161 1.531 -2.588 521 H SER 77 H SER 77 -10.734 2.239 -6.226 522 HA SER 77 HA SER 77 -8.968 4.268 -5.557 523 2HB SER 77 2HB SER 77 -9.809 5.429 -7.499 524 HG SER 77 HG SER 77 -9.643 3.777 -8.973 525 H ASP 78 H ASP 78 -12.409 3.989 -5.022 526 HA ASP 78 HA ASP 78 -13.021 6.585 -4.227 527 2HB ASP 78 2HB ASP 78 -14.178 4.000 -3.163 528 H VAL 79 H VAL 79 -11.687 3.886 -2.383 529 HA VAL 79 HA VAL 79 -11.818 5.279 0.119 530 HB VAL 79 HB VAL 79 -10.403 2.718 -0.635 531 1HG1 VAL 79 1HG1 VAL 79 -10.172 2.322 1.770 532 2HG1 VAL 79 2HG1 VAL 79 -10.848 3.917 2.103 533 3HG1 VAL 79 3HG1 VAL 79 -9.295 3.770 1.279 534 1HG2 VAL 79 1HG2 VAL 79 -12.979 3.280 0.830 535 2HG2 VAL 79 2HG2 VAL 79 -12.251 1.682 0.641 536 3HG2 VAL 79 3HG2 VAL 79 -12.816 2.568 -0.776 537 H ILE 80 H ILE 80 -9.144 4.396 -2.095 538 HA ILE 80 HA ILE 80 -7.134 5.559 -0.490 539 HB ILE 80 HB ILE 80 -6.556 3.962 -2.254 540 2HG1 ILE 80 2HG1 ILE 80 -5.345 6.710 -2.537 541 1HG2 ILE 80 1HG2 ILE 80 -8.186 4.648 -3.919 542 2HG2 ILE 80 2HG2 ILE 80 -6.552 4.598 -4.586 543 3HG2 ILE 80 3HG2 ILE 80 -7.290 6.147 -4.172 544 1HD1 ILE 80 1HD1 ILE 80 -4.997 5.689 -0.373 545 2HD1 ILE 80 2HD1 ILE 80 -3.495 5.769 -1.292 546 3HD1 ILE 80 3HD1 ILE 80 -4.365 4.238 -1.151 547 H GLY 81 H GLY 81 -9.210 6.900 -3.014 548 1HA GLY 81 1HA GLY 81 -7.926 9.419 -3.218 549 2HA GLY 81 2HA GLY 81 -9.599 9.077 -3.647 550 H ALA 82 H ALA 82 -10.428 8.170 -1.085 551 HA ALA 82 HA ALA 82 -11.109 10.588 0.193 552 1HB ALA 82 1HB ALA 82 -12.057 9.162 1.951 553 2HB ALA 82 2HB ALA 82 -11.239 7.760 1.259 554 3HB ALA 82 3HB ALA 82 -12.503 8.585 0.346 555 H TYR 83 H TYR 83 -8.530 8.288 0.661 556 HA TYR 83 HA TYR 83 -7.699 9.469 3.172 557 2HB TYR 83 2HB TYR 83 -6.754 7.140 1.520 558 HD1 TYR 83 1HD TYR 83 -6.065 8.017 5.067 559 HD2 TYR 83 2HD TYR 83 -4.427 7.265 1.204 560 HE1 TYR 83 1HE TYR 83 -3.804 8.005 6.033 561 HE2 TYR 83 2HE TYR 83 -2.169 7.239 2.167 562 HH TYR 83 HH TYR 83 -1.568 7.124 5.507 563 H LEU 84 H LEU 84 -6.371 9.123 -0.102 564 HA LEU 84 HA LEU 84 -3.903 10.351 0.451 565 2HB LEU 84 2HB LEU 84 -4.554 10.740 -2.284 566 HG LEU 84 HG LEU 84 -3.081 8.740 -2.672 567 1HD1 LEU 84 1HD1 LEU 84 -2.031 10.896 -0.842 568 2HD1 LEU 84 2HD1 LEU 84 -2.168 10.998 -2.598 569 3HD1 LEU 84 3HD1 LEU 84 -1.047 9.850 -1.864 570 1HD2 LEU 84 1HD2 LEU 84 -1.853 7.855 -0.746 571 2HD2 LEU 84 2HD2 LEU 84 -3.579 7.497 -0.658 572 3HD2 LEU 84 3HD2 LEU 84 -2.894 8.786 0.330 573 H SER 85 H SER 85 -6.909 11.653 -0.893 574 HA SER 85 HA SER 85 -5.735 14.334 -0.628 575 2HB SER 85 2HB SER 85 -6.092 13.980 -2.946 576 HG SER 85 HG SER 85 -8.387 12.654 -2.057 Start of MODEL 4 1 HA MET 1 HA MET 1 4.973 31.304 7.773 2 2HB MET 1 2HB MET 1 4.485 30.613 5.397 3 2HG MET 1 2HG MET 1 5.311 33.490 5.684 4 1HE MET 1 1HE MET 1 2.295 31.681 2.685 5 2HE MET 1 2HE MET 1 2.011 31.761 4.425 6 3HE MET 1 3HE MET 1 3.267 30.702 3.783 7 H ASN 2 H ASN 2 4.201 29.095 7.195 8 HA ASN 2 HA ASN 2 6.274 27.161 6.542 9 2HB ASN 2 2HB ASN 2 4.504 26.698 8.952 10 1HD2 ASN 2 1HD2 ASN 2 6.803 25.574 10.300 11 2HD2 ASN 2 2HD2 ASN 2 7.087 24.028 9.580 12 H ASN 3 H ASN 3 5.379 26.383 4.742 13 HA ASN 3 HA ASN 3 2.516 26.167 4.433 14 2HB ASN 3 2HB ASN 3 4.723 25.232 2.579 15 1HD2 ASN 3 1HD2 ASN 3 4.101 24.854 0.466 16 2HD2 ASN 3 2HD2 ASN 3 2.458 24.567 0.016 17 H GLN 4 H GLN 4 5.217 24.117 5.111 18 HA GLN 4 HA GLN 4 5.478 21.949 5.643 19 2HB GLN 4 2HB GLN 4 2.619 22.229 6.593 20 2HG GLN 4 2HG GLN 4 4.702 20.158 7.229 21 1HE2 GLN 4 1HE2 GLN 4 4.228 18.697 8.837 22 2HE2 GLN 4 2HE2 GLN 4 3.111 19.064 10.116 23 H VAL 5 H VAL 5 5.774 21.278 3.517 24 HA VAL 5 HA VAL 5 3.451 19.960 2.307 25 HB VAL 5 HB VAL 5 5.002 19.718 0.279 26 1HG1 VAL 5 1HG1 VAL 5 3.132 21.271 0.381 27 2HG1 VAL 5 2HG1 VAL 5 4.496 21.989 -0.478 28 3HG1 VAL 5 3HG1 VAL 5 4.150 22.463 1.186 29 1HG2 VAL 5 1HG2 VAL 5 6.539 21.814 1.817 30 2HG2 VAL 5 2HG2 VAL 5 6.820 21.360 0.135 31 3HG2 VAL 5 3HG2 VAL 5 7.108 20.192 1.426 32 H GLU 6 H GLU 6 3.278 18.142 3.360 33 HA GLU 6 HA GLU 6 5.463 16.212 3.073 34 2HB GLU 6 2HB GLU 6 4.840 15.316 5.316 35 2HG GLU 6 2HG GLU 6 5.597 18.232 5.379 36 HA PRO 7 HA PRO 7 2.056 14.175 1.185 37 2HB PRO 7 2HB PRO 7 3.593 14.029 -0.534 38 2HG PRO 7 2HG PRO 7 5.822 13.716 -0.098 39 2HD PRO 7 2HD PRO 7 5.829 15.116 1.688 40 H ARG 8 H ARG 8 1.697 11.649 0.672 41 HA ARG 8 HA ARG 8 1.693 10.343 3.296 42 2HB ARG 8 2HB ARG 8 -0.104 8.902 2.316 43 2HG ARG 8 2HG ARG 8 -1.895 10.568 2.256 44 2HD ARG 8 2HD ARG 8 0.170 11.192 4.364 45 HE ARG 8 HE ARG 8 -2.101 12.519 4.172 46 1HH1 ARG 8 1HH1 ARG 8 -1.338 9.799 6.232 47 2HH1 ARG 8 2HH1 ARG 8 -2.440 10.261 7.494 48 1HH2 ARG 8 1HH2 ARG 8 -3.512 13.176 5.868 49 2HH2 ARG 8 2HH2 ARG 8 -3.629 12.214 7.311 50 H LYS 9 H LYS 9 1.907 7.924 3.212 51 HA LYS 9 HA LYS 9 3.581 7.006 0.996 52 2HB LYS 9 2HB LYS 9 4.437 6.452 3.813 53 2HG LYS 9 2HG LYS 9 6.726 6.601 2.697 54 2HD LYS 9 2HD LYS 9 4.787 4.389 2.044 55 2HE LYS 9 2HE LYS 9 6.666 4.234 0.537 56 1HZ LYS 9 1HZ LYS 9 8.288 4.592 2.975 57 2HZ LYS 9 2HZ LYS 9 8.407 5.421 1.501 58 3HZ LYS 9 3HZ LYS 9 8.913 3.801 1.615 59 H LEU 10 H LEU 10 3.042 5.012 0.383 60 HA LEU 10 HA LEU 10 1.383 3.386 2.196 61 2HB LEU 10 2HB LEU 10 0.658 2.271 0.019 62 HG LEU 10 HG LEU 10 -0.124 5.166 0.377 63 1HD1 LEU 10 1HD1 LEU 10 -0.654 4.261 -1.848 64 2HD1 LEU 10 2HD1 LEU 10 -2.098 4.583 -0.890 65 3HD1 LEU 10 3HD1 LEU 10 -1.518 2.927 -1.084 66 1HD2 LEU 10 1HD2 LEU 10 -1.400 2.623 1.387 67 2HD2 LEU 10 2HD2 LEU 10 -2.031 4.257 1.596 68 3HD2 LEU 10 3HD2 LEU 10 -0.515 3.793 2.370 69 H VAL 11 H VAL 11 1.945 1.353 2.643 70 HA VAL 11 HA VAL 11 4.216 0.182 1.167 71 HB VAL 11 HB VAL 11 3.208 -0.411 3.962 72 1HG1 VAL 11 1HG1 VAL 11 4.884 -2.149 4.092 73 2HG1 VAL 11 2HG1 VAL 11 5.406 -1.813 2.442 74 3HG1 VAL 11 3HG1 VAL 11 3.799 -2.480 2.738 75 1HG2 VAL 11 1HG2 VAL 11 5.881 0.579 2.968 76 2HG2 VAL 11 2HG2 VAL 11 5.470 0.228 4.647 77 3HG2 VAL 11 3HG2 VAL 11 4.662 1.546 3.797 78 H VAL 12 H VAL 12 3.769 -1.526 -0.096 79 HA VAL 12 HA VAL 12 1.163 -2.819 0.222 80 HB VAL 12 HB VAL 12 3.151 -3.193 -2.016 81 1HG1 VAL 12 1HG1 VAL 12 1.600 -5.050 -1.669 82 2HG1 VAL 12 2HG1 VAL 12 1.294 -4.216 -3.194 83 3HG1 VAL 12 3HG1 VAL 12 0.244 -3.933 -1.806 84 1HG2 VAL 12 1HG2 VAL 12 0.721 -1.426 -1.897 85 2HG2 VAL 12 2HG2 VAL 12 1.659 -1.773 -3.349 86 3HG2 VAL 12 3HG2 VAL 12 2.401 -0.897 -2.009 87 H TYR 13 H TYR 13 1.138 -4.517 1.503 88 HA TYR 13 HA TYR 13 3.542 -6.112 1.873 89 2HB TYR 13 2HB TYR 13 2.061 -7.362 3.525 90 HD1 TYR 13 1HD TYR 13 0.824 -4.196 4.508 91 HD2 TYR 13 2HD TYR 13 4.405 -6.483 4.260 92 HE1 TYR 13 1HE TYR 13 1.869 -2.741 6.193 93 HE2 TYR 13 2HE TYR 13 5.455 -5.035 5.942 94 HH TYR 13 HH TYR 13 5.213 -2.772 6.824 95 H GLY 14 H GLY 14 3.938 -7.930 0.854 96 1HA GLY 14 1HA GLY 14 1.798 -9.662 -0.025 97 2HA GLY 14 2HA GLY 14 2.680 -8.882 -1.331 98 H ARG 15 H ARG 15 3.199 -11.114 -1.912 99 HA ARG 15 HA ARG 15 5.739 -11.867 -0.748 100 2HB ARG 15 2HB ARG 15 4.492 -13.256 0.640 101 2HG ARG 15 2HG ARG 15 2.694 -13.982 -1.670 102 2HD ARG 15 2HD ARG 15 1.414 -14.750 0.587 103 HE ARG 15 HE ARG 15 1.946 -16.146 -1.464 104 1HH1 ARG 15 1HH1 ARG 15 3.622 -16.615 1.578 105 2HH1 ARG 15 2HH1 ARG 15 3.798 -18.336 1.362 106 1HH2 ARG 15 1HH2 ARG 15 2.203 -18.389 -1.775 107 2HH2 ARG 15 2HH2 ARG 15 3.005 -19.344 -0.566 108 H GLU 16 H GLU 16 6.827 -13.560 -2.075 109 HA GLU 16 HA GLU 16 6.843 -12.692 -4.749 110 2HB GLU 16 2HB GLU 16 8.901 -13.471 -3.911 111 2HG GLU 16 2HG GLU 16 7.462 -15.987 -3.115 112 H GLY 17 H GLY 17 5.292 -13.093 -6.179 113 1HA GLY 17 1HA GLY 17 4.601 -15.075 -7.620 114 2HA GLY 17 2HA GLY 17 4.005 -15.750 -6.114 115 H CYS 18 H CYS 18 3.261 -12.867 -5.355 116 HA CYS 18 HA CYS 18 0.563 -13.043 -6.294 117 2HB CYS 18 2HB CYS 18 0.212 -10.980 -5.009 118 HG CYS 18 HG CYS 18 0.883 -13.782 -3.728 119 H HIS 19 H HIS 19 0.787 -12.903 -8.559 120 HA HIS 19 HA HIS 19 2.041 -10.682 -9.837 121 2HB HIS 19 2HB HIS 19 0.934 -11.524 -11.892 122 HD1 HIS 19 1HD HIS 19 1.042 -14.935 -10.862 123 HD2 HIS 19 2HD HIS 19 3.902 -11.979 -11.518 124 HE1 HIS 19 1HE HIS 19 3.228 -16.150 -11.158 125 H LEU 20 H LEU 20 -1.181 -11.401 -8.710 126 HA LEU 20 HA LEU 20 -2.595 -9.319 -9.945 127 2HB LEU 20 2HB LEU 20 -3.081 -10.367 -7.154 128 HG LEU 20 HG LEU 20 -5.521 -10.375 -8.034 129 1HD1 LEU 20 1HD1 LEU 20 -4.798 -8.989 -6.190 130 2HD1 LEU 20 2HD1 LEU 20 -5.880 -8.084 -7.250 131 3HD1 LEU 20 3HD1 LEU 20 -4.139 -7.797 -7.313 132 1HD2 LEU 20 1HD2 LEU 20 -6.009 -8.566 -9.619 133 2HD2 LEU 20 2HD2 LEU 20 -5.037 -9.848 -10.344 134 3HD2 LEU 20 3HD2 LEU 20 -4.277 -8.329 -9.865 135 H CYS 21 H CYS 21 -0.474 -9.380 -7.165 136 HA CYS 21 HA CYS 21 -1.034 -6.772 -6.198 137 2HB CYS 21 2HB CYS 21 1.478 -8.448 -5.937 138 HG CYS 21 HG CYS 21 1.274 -5.392 -5.175 139 H GLU 22 H GLU 22 1.228 -8.088 -8.542 140 HA GLU 22 HA GLU 22 2.668 -5.695 -9.018 141 2HB GLU 22 2HB GLU 22 3.459 -6.858 -11.050 142 2HG GLU 22 2HG GLU 22 3.337 -8.664 -8.642 143 H GLU 23 H GLU 23 -0.254 -7.091 -10.362 144 HA GLU 23 HA GLU 23 -0.644 -5.302 -12.495 145 2HB GLU 23 2HB GLU 23 -3.025 -5.921 -12.320 146 2HG GLU 23 2HG GLU 23 -2.834 -8.364 -12.461 147 H MET 24 H MET 24 -1.445 -5.139 -9.074 148 HA MET 24 HA MET 24 -2.944 -2.729 -9.202 149 2HB MET 24 2HB MET 24 -2.630 -2.658 -6.748 150 2HG MET 24 2HG MET 24 -3.292 -5.398 -7.793 151 1HE MET 24 1HE MET 24 -4.947 -2.994 -5.131 152 2HE MET 24 2HE MET 24 -3.212 -2.851 -4.830 153 3HE MET 24 3HE MET 24 -4.251 -3.632 -3.639 154 H ILE 25 H ILE 25 0.451 -3.452 -8.970 155 HA ILE 25 HA ILE 25 1.437 -1.015 -8.054 156 HB ILE 25 HB ILE 25 2.619 -2.954 -10.038 157 2HG1 ILE 25 2HG1 ILE 25 2.292 -3.788 -7.737 158 1HG2 ILE 25 1HG2 ILE 25 4.775 -1.819 -9.638 159 2HG2 ILE 25 2HG2 ILE 25 3.921 -0.562 -8.741 160 3HG2 ILE 25 3HG2 ILE 25 3.600 -0.794 -10.461 161 1HD1 ILE 25 1HD1 ILE 25 5.199 -3.253 -8.310 162 2HD1 ILE 25 2HD1 ILE 25 4.261 -4.619 -8.914 163 3HD1 ILE 25 3HD1 ILE 25 4.565 -4.453 -7.185 164 H ALA 26 H ALA 26 0.568 -2.041 -11.328 165 HA ALA 26 HA ALA 26 1.317 0.294 -12.682 166 1HB ALA 26 1HB ALA 26 0.762 -1.824 -13.799 167 2HB ALA 26 2HB ALA 26 -0.135 -0.462 -14.470 168 3HB ALA 26 3HB ALA 26 -0.933 -1.589 -13.376 169 H SER 27 H SER 27 -1.720 -0.632 -11.125 170 HA SER 27 HA SER 27 -3.247 1.621 -11.784 171 2HB SER 27 2HB SER 27 -4.651 0.975 -9.859 172 HG SER 27 HG SER 27 -3.970 -0.613 -11.865 173 H LEU 28 H LEU 28 -1.198 0.959 -8.964 174 HA LEU 28 HA LEU 28 -1.671 3.379 -7.614 175 2HB LEU 28 2HB LEU 28 0.377 2.847 -6.359 176 HG LEU 28 HG LEU 28 -1.256 0.364 -6.889 177 1HD1 LEU 28 1HD1 LEU 28 0.873 -0.147 -5.821 178 2HD1 LEU 28 2HD1 LEU 28 -0.471 -0.370 -4.700 179 3HD1 LEU 28 3HD1 LEU 28 0.550 1.063 -4.580 180 1HD2 LEU 28 1HD2 LEU 28 -2.625 2.237 -6.159 181 2HD2 LEU 28 2HD2 LEU 28 -1.542 2.514 -4.795 182 3HD2 LEU 28 3HD2 LEU 28 -2.489 1.027 -4.883 183 H ARG 29 H ARG 29 0.828 2.446 -9.938 184 HA ARG 29 HA ARG 29 2.429 4.714 -9.832 185 2HB ARG 29 2HB ARG 29 2.929 4.137 -12.275 186 2HG ARG 29 2HG ARG 29 3.945 1.923 -11.734 187 2HD ARG 29 2HD ARG 29 5.457 2.784 -9.989 188 HE ARG 29 HE ARG 29 5.722 3.641 -12.303 189 1HH1 ARG 29 1HH1 ARG 29 4.642 5.826 -9.779 190 2HH1 ARG 29 2HH1 ARG 29 5.237 7.252 -10.587 191 1HH2 ARG 29 1HH2 ARG 29 6.522 5.502 -13.347 192 2HH2 ARG 29 2HH2 ARG 29 6.310 7.064 -12.612 193 H VAL 30 H VAL 30 -0.477 4.128 -11.780 194 HA VAL 30 HA VAL 30 -0.380 6.582 -13.183 195 HB VAL 30 HB VAL 30 -2.789 4.862 -12.551 196 1HG1 VAL 30 1HG1 VAL 30 -2.435 7.032 -14.619 197 2HG1 VAL 30 2HG1 VAL 30 -3.452 7.119 -13.180 198 3HG1 VAL 30 3HG1 VAL 30 -3.842 5.978 -14.467 199 1HG2 VAL 30 1HG2 VAL 30 -0.994 4.941 -14.976 200 2HG2 VAL 30 2HG2 VAL 30 -2.460 3.973 -14.818 201 3HG2 VAL 30 3HG2 VAL 30 -1.072 3.647 -13.781 202 H LEU 31 H LEU 31 -1.940 5.626 -10.143 203 HA LEU 31 HA LEU 31 -3.288 8.081 -9.717 204 2HB LEU 31 2HB LEU 31 -2.702 6.981 -7.201 205 HG LEU 31 HG LEU 31 -5.126 6.325 -8.873 206 1HD1 LEU 31 1HD1 LEU 31 -4.705 6.441 -5.890 207 2HD1 LEU 31 2HD1 LEU 31 -4.873 4.972 -6.853 208 3HD1 LEU 31 3HD1 LEU 31 -6.229 6.091 -6.707 209 1HD2 LEU 31 1HD2 LEU 31 -4.762 8.739 -8.825 210 2HD2 LEU 31 2HD2 LEU 31 -4.628 8.690 -7.068 211 3HD2 LEU 31 3HD2 LEU 31 -6.159 8.289 -7.845 212 H GLN 32 H GLN 32 -0.072 6.937 -8.916 213 HA GLN 32 HA GLN 32 0.682 8.939 -7.111 214 2HB GLN 32 2HB GLN 32 3.023 8.388 -7.828 215 2HG GLN 32 2HG GLN 32 1.199 6.071 -7.248 216 1HE2 GLN 32 1HE2 GLN 32 3.158 5.210 -5.278 217 2HE2 GLN 32 2HE2 GLN 32 4.412 4.418 -6.167 218 H LYS 33 H LYS 33 0.214 9.068 -10.511 219 HA LYS 33 HA LYS 33 1.909 11.342 -10.965 220 2HB LYS 33 2HB LYS 33 0.973 11.367 -13.196 221 2HG LYS 33 2HG LYS 33 1.189 8.461 -12.513 222 2HD LYS 33 2HD LYS 33 2.421 8.381 -14.609 223 2HE LYS 33 2HE LYS 33 -0.156 9.904 -14.964 224 1HZ LYS 33 1HZ LYS 33 -0.288 8.882 -17.054 225 2HZ LYS 33 2HZ LYS 33 0.968 7.798 -16.716 226 3HZ LYS 33 3HZ LYS 33 1.311 9.440 -16.959 227 H LYS 34 H LYS 34 -1.178 10.870 -9.658 228 HA LYS 34 HA LYS 34 -1.876 13.705 -10.048 229 2HB LYS 34 2HB LYS 34 -4.111 13.060 -9.119 230 2HG LYS 34 2HG LYS 34 -3.561 12.964 -11.641 231 2HD LYS 34 2HD LYS 34 -3.819 10.036 -10.965 232 2HE LYS 34 2HE LYS 34 -3.803 9.662 -13.395 233 1HZ LYS 34 1HZ LYS 34 -5.949 9.739 -12.288 234 2HZ LYS 34 2HZ LYS 34 -6.074 10.401 -13.847 235 3HZ LYS 34 3HZ LYS 34 -6.030 11.421 -12.499 236 H SER 35 H SER 35 -1.460 11.171 -7.643 237 HA SER 35 HA SER 35 -0.896 13.196 -5.607 238 2HB SER 35 2HB SER 35 -2.321 12.047 -3.977 239 HG SER 35 HG SER 35 -3.175 13.535 -5.858 240 H TRP 36 H TRP 36 0.995 12.709 -4.652 241 HA TRP 36 HA TRP 36 2.198 10.143 -5.264 242 2HB TRP 36 2HB TRP 36 3.419 12.448 -3.739 243 HD1 TRP 36 HD TRP 36 5.307 11.190 -2.437 244 HE1 TRP 36 1HE TRP 36 7.243 9.632 -3.127 245 HE3 TRP 36 3HE TRP 36 4.010 10.390 -7.317 246 HZ2 TRP 36 2HZ TRP 36 8.088 8.233 -5.431 247 HZ3 TRP 36 3HZ TRP 36 5.429 8.922 -8.693 248 HH2 TRP 36 HH TRP 36 7.425 7.869 -7.766 249 H PHE 37 H PHE 37 2.243 8.482 -3.957 250 HA PHE 37 HA PHE 37 2.135 8.926 -1.065 251 2HB PHE 37 2HB PHE 37 -0.078 8.253 -1.492 252 HD1 PHE 37 1HD PHE 37 1.530 5.131 -2.753 253 HD2 PHE 37 2HD PHE 37 -1.219 8.295 -3.504 254 HE1 PHE 37 1HE PHE 37 0.735 3.965 -4.757 255 HE2 PHE 37 2HE PHE 37 -2.010 7.131 -5.515 256 HZ PHE 37 HZ PHE 37 -1.035 4.965 -6.146 257 H GLU 38 H GLU 38 4.199 8.179 -3.159 258 HA GLU 38 HA GLU 38 5.977 6.802 -3.416 259 2HB GLU 38 2HB GLU 38 6.699 5.523 -1.319 260 2HG GLU 38 2HG GLU 38 6.439 8.223 -0.321 261 H LEU 39 H LEU 39 6.714 4.388 -2.967 262 HA LEU 39 HA LEU 39 4.463 2.573 -2.790 263 2HB LEU 39 2HB LEU 39 6.250 2.404 -5.208 264 HG LEU 39 HG LEU 39 5.252 0.305 -5.040 265 1HD1 LEU 39 1HD1 LEU 39 2.723 1.693 -4.153 266 2HD1 LEU 39 2HD1 LEU 39 3.816 0.762 -3.125 267 3HD1 LEU 39 3HD1 LEU 39 2.902 -0.043 -4.402 268 1HD2 LEU 39 1HD2 LEU 39 3.532 0.239 -6.763 269 2HD2 LEU 39 2HD2 LEU 39 4.808 1.371 -7.213 270 3HD2 LEU 39 3HD2 LEU 39 3.272 1.975 -6.586 271 H GLU 40 H GLU 40 5.129 1.295 -1.224 272 HA GLU 40 HA GLU 40 7.912 0.346 -1.286 273 2HB GLU 40 2HB GLU 40 6.179 -0.088 1.099 274 2HG GLU 40 2HG GLU 40 8.606 -0.794 0.906 275 H VAL 41 H VAL 41 8.322 -1.851 -1.167 276 HA VAL 41 HA VAL 41 5.985 -3.629 -1.400 277 HB VAL 41 HB VAL 41 8.525 -3.860 -3.030 278 1HG1 VAL 41 1HG1 VAL 41 7.567 -6.027 -2.462 279 2HG1 VAL 41 2HG1 VAL 41 7.366 -5.685 -4.182 280 3HG1 VAL 41 3HG1 VAL 41 5.998 -5.506 -3.082 281 1HG2 VAL 41 1HG2 VAL 41 7.097 -3.372 -4.971 282 2HG2 VAL 41 2HG2 VAL 41 7.144 -2.024 -3.837 283 3HG2 VAL 41 3HG2 VAL 41 5.736 -3.084 -3.889 284 H ILE 42 H ILE 42 6.032 -4.824 0.390 285 HA ILE 42 HA ILE 42 8.659 -5.748 1.356 286 HB ILE 42 HB ILE 42 6.235 -5.076 3.031 287 2HG1 ILE 42 2HG1 ILE 42 7.408 -3.099 2.178 288 1HG2 ILE 42 1HG2 ILE 42 8.970 -6.038 3.869 289 2HG2 ILE 42 2HG2 ILE 42 7.479 -6.975 3.940 290 3HG2 ILE 42 3HG2 ILE 42 7.673 -5.547 4.957 291 1HD1 ILE 42 1HD1 ILE 42 8.158 -3.548 5.055 292 2HD1 ILE 42 2HD1 ILE 42 6.596 -2.962 4.483 293 3HD1 ILE 42 3HD1 ILE 42 8.049 -1.996 4.222 294 H ASN 43 H ASN 43 8.922 -7.837 1.129 295 HA ASN 43 HA ASN 43 6.718 -9.640 0.743 296 2HB ASN 43 2HB ASN 43 8.508 -11.391 0.668 297 1HD2 ASN 43 1HD2 ASN 43 7.550 -11.460 -1.365 298 2HD2 ASN 43 2HD2 ASN 43 8.158 -10.555 -2.709 299 H ILE 44 H ILE 44 5.557 -10.402 2.355 300 HA ILE 44 HA ILE 44 6.379 -10.163 5.070 301 HB ILE 44 HB ILE 44 4.285 -11.429 5.586 302 2HG1 ILE 44 2HG1 ILE 44 4.241 -12.794 3.517 303 1HG2 ILE 44 1HG2 ILE 44 4.017 -9.084 3.714 304 2HG2 ILE 44 2HG2 ILE 44 4.323 -9.003 5.452 305 3HG2 ILE 44 3HG2 ILE 44 2.790 -9.640 4.851 306 1HD1 ILE 44 1HD1 ILE 44 1.796 -11.067 3.764 307 2HD1 ILE 44 2HD1 ILE 44 2.129 -12.528 4.698 308 3HD1 ILE 44 3HD1 ILE 44 1.896 -12.630 2.950 309 H ASP 45 H ASP 45 6.302 -12.814 2.768 310 HA ASP 45 HA ASP 45 6.833 -14.897 4.590 311 2HB ASP 45 2HB ASP 45 7.882 -15.963 2.416 312 H GLY 46 H GLY 46 8.415 -14.583 5.980 313 1HA GLY 46 1HA GLY 46 10.978 -15.151 5.799 314 2HA GLY 46 2HA GLY 46 10.993 -13.537 5.093 315 H ASN 47 H ASN 47 8.972 -12.392 6.636 316 HA ASN 47 HA ASN 47 10.255 -12.234 9.268 317 2HB ASN 47 2HB ASN 47 8.058 -10.475 8.143 318 1HD2 ASN 47 1HD2 ASN 47 9.751 -8.249 9.114 319 2HD2 ASN 47 2HD2 ASN 47 9.460 -8.163 10.817 320 H GLU 48 H GLU 48 9.493 -13.644 10.659 321 HA GLU 48 HA GLU 48 7.246 -15.206 10.419 322 2HB GLU 48 2HB GLU 48 8.844 -14.352 12.828 323 2HG GLU 48 2HG GLU 48 7.927 -16.610 13.756 324 H HIS 49 H HIS 49 7.527 -11.994 11.806 325 HA HIS 49 HA HIS 49 4.951 -12.071 13.072 326 2HB HIS 49 2HB HIS 49 5.484 -9.433 12.975 327 HD1 HIS 49 1HD HIS 49 7.508 -12.204 14.682 328 HD2 HIS 49 2HD HIS 49 5.054 -8.970 15.578 329 HE1 HIS 49 1HE HIS 49 7.416 -12.097 17.186 330 H LEU 50 H LEU 50 6.253 -10.496 10.152 331 HA LEU 50 HA LEU 50 3.776 -9.353 9.400 332 2HB LEU 50 2HB LEU 50 4.855 -9.139 7.120 333 HG LEU 50 HG LEU 50 6.624 -8.100 9.317 334 1HD1 LEU 50 1HD1 LEU 50 5.977 -7.024 6.584 335 2HD1 LEU 50 2HD1 LEU 50 7.471 -7.845 7.036 336 3HD1 LEU 50 3HD1 LEU 50 7.060 -6.293 7.765 337 1HD2 LEU 50 1HD2 LEU 50 4.066 -6.920 8.241 338 2HD2 LEU 50 2HD2 LEU 50 5.172 -6.132 9.367 339 3HD2 LEU 50 3HD2 LEU 50 4.303 -7.586 9.859 340 H THR 51 H THR 51 5.313 -12.445 8.659 341 HA THR 51 HA THR 51 3.564 -13.304 6.659 342 HB THR 51 HB THR 51 4.746 -15.060 8.821 343 HG1 THR 51 1HG THR 51 5.943 -13.647 6.813 344 1HG2 THR 51 1HG2 THR 51 3.838 -15.657 6.001 345 2HG2 THR 51 2HG2 THR 51 3.036 -16.169 7.487 346 3HG2 THR 51 3HG2 THR 51 4.633 -16.802 7.085 347 H ARG 52 H ARG 52 3.318 -13.890 10.188 348 HA ARG 52 HA ARG 52 0.787 -15.120 10.028 349 2HB ARG 52 2HB ARG 52 0.681 -14.576 12.511 350 2HG ARG 52 2HG ARG 52 2.473 -16.088 13.144 351 2HD ARG 52 2HD ARG 52 1.135 -16.857 10.551 352 HE ARG 52 HE ARG 52 2.849 -18.415 12.236 353 1HH1 ARG 52 1HH1 ARG 52 -0.001 -18.565 10.185 354 2HH1 ARG 52 2HH1 ARG 52 0.185 -20.256 9.827 355 1HH2 ARG 52 1HH2 ARG 52 3.087 -20.626 11.769 356 2HH2 ARG 52 2HH2 ARG 52 1.947 -21.428 10.733 357 H LEU 53 H LEU 53 1.746 -11.770 10.296 358 HA LEU 53 HA LEU 53 -0.789 -10.739 11.030 359 2HB LEU 53 2HB LEU 53 0.207 -8.575 10.077 360 HG LEU 53 HG LEU 53 1.715 -10.026 12.252 361 1HD1 LEU 53 1HD1 LEU 53 2.553 -7.820 12.890 362 2HD1 LEU 53 2HD1 LEU 53 1.773 -7.111 11.476 363 3HD1 LEU 53 3HD1 LEU 53 3.094 -8.260 11.269 364 1HD2 LEU 53 1HD2 LEU 53 -0.650 -9.641 12.727 365 2HD2 LEU 53 2HD2 LEU 53 -0.451 -7.932 12.337 366 3HD2 LEU 53 3HD2 LEU 53 0.377 -8.619 13.734 367 H TYR 54 H TYR 54 0.782 -11.169 7.837 368 HA TYR 54 HA TYR 54 -1.681 -10.048 6.675 369 2HB TYR 54 2HB TYR 54 -0.225 -9.266 4.781 370 HD1 TYR 54 1HD TYR 54 1.897 -8.407 7.606 371 HD2 TYR 54 2HD TYR 54 -1.672 -7.404 5.518 372 HE1 TYR 54 1HE TYR 54 1.854 -6.227 8.743 373 HE2 TYR 54 2HE TYR 54 -1.726 -5.220 6.647 374 HH TYR 54 HH TYR 54 -0.885 -4.076 8.524 375 H ASN 55 H ASN 55 0.161 -12.925 6.725 376 HA ASN 55 HA ASN 55 -0.442 -13.683 4.009 377 2HB ASN 55 2HB ASN 55 0.282 -15.600 6.226 378 1HD2 ASN 55 1HD2 ASN 55 2.482 -16.494 4.528 379 2HD2 ASN 55 2HD2 ASN 55 1.765 -17.436 3.271 380 H ASP 56 H ASP 56 -2.605 -13.250 3.910 381 HA ASP 56 HA ASP 56 -4.376 -15.368 4.774 382 2HB ASP 56 2HB ASP 56 -4.666 -12.505 5.703 383 H ARG 57 H ARG 57 -4.469 -12.022 3.590 384 HA ARG 57 HA ARG 57 -5.189 -12.821 0.931 385 2HB ARG 57 2HB ARG 57 -7.205 -11.151 1.049 386 2HG ARG 57 2HG ARG 57 -7.261 -13.979 2.004 387 2HD ARG 57 2HD ARG 57 -9.752 -13.851 1.836 388 HE ARG 57 HE ARG 57 -8.236 -12.836 4.046 389 1HH1 ARG 57 1HH1 ARG 57 -11.490 -13.449 2.881 390 2HH1 ARG 57 2HH1 ARG 57 -12.174 -13.537 4.480 391 1HH2 ARG 57 1HH2 ARG 57 -9.112 -12.970 6.113 392 2HH2 ARG 57 2HH2 ARG 57 -10.814 -13.244 6.328 393 H VAL 58 H VAL 58 -3.391 -11.696 0.226 394 HA VAL 58 HA VAL 58 -2.578 -9.479 1.810 395 HB VAL 58 HB VAL 58 -0.690 -9.784 -0.223 396 1HG1 VAL 58 1HG1 VAL 58 -0.235 -9.246 2.094 397 2HG1 VAL 58 2HG1 VAL 58 0.684 -10.672 1.610 398 3HG1 VAL 58 3HG1 VAL 58 -0.769 -10.849 2.593 399 1HG2 VAL 58 1HG2 VAL 58 -1.601 -12.471 0.814 400 2HG2 VAL 58 2HG2 VAL 58 -0.152 -12.165 -0.142 401 3HG2 VAL 58 3HG2 VAL 58 -1.744 -11.905 -0.851 402 HA PRO 59 HA PRO 59 -0.732 -7.215 -1.647 403 2HB PRO 59 2HB PRO 59 -1.528 -6.744 -3.786 404 2HG PRO 59 2HG PRO 59 -1.229 -8.961 -4.175 405 2HD PRO 59 2HD PRO 59 -0.931 -9.955 -2.152 406 H VAL 60 H VAL 60 -1.135 -6.361 0.543 407 HA VAL 60 HA VAL 60 -3.602 -4.815 0.876 408 HB VAL 60 HB VAL 60 -1.728 -5.112 3.160 409 1HG1 VAL 60 1HG1 VAL 60 -4.701 -5.454 2.865 410 2HG1 VAL 60 2HG1 VAL 60 -3.862 -4.016 3.461 411 3HG1 VAL 60 3HG1 VAL 60 -3.808 -5.523 4.385 412 1HG2 VAL 60 1HG2 VAL 60 -1.562 -7.331 2.159 413 2HG2 VAL 60 2HG2 VAL 60 -3.324 -7.451 2.134 414 3HG2 VAL 60 3HG2 VAL 60 -2.464 -7.384 3.676 415 H LEU 61 H LEU 61 -3.622 -2.647 1.096 416 HA LEU 61 HA LEU 61 -1.076 -1.231 0.878 417 2HB LEU 61 2HB LEU 61 -2.635 0.794 0.678 418 HG LEU 61 HG LEU 61 -2.944 -1.299 -1.470 419 1HD1 LEU 61 1HD1 LEU 61 -3.171 1.706 -1.543 420 2HD1 LEU 61 2HD1 LEU 61 -4.504 0.557 -1.680 421 3HD1 LEU 61 3HD1 LEU 61 -3.269 0.630 -2.937 422 1HD2 LEU 61 1HD2 LEU 61 -0.593 -0.956 -0.971 423 2HD2 LEU 61 2HD2 LEU 61 -0.808 0.792 -1.059 424 3HD2 LEU 61 3HD2 LEU 61 -1.001 -0.193 -2.508 425 H PHE 62 H PHE 62 -0.098 -0.913 2.732 426 HA PHE 62 HA PHE 62 -1.629 -0.333 5.139 427 2HB PHE 62 2HB PHE 62 1.313 -0.829 4.659 428 HD1 PHE 62 1HD PHE 62 2.548 0.599 6.006 429 HD2 PHE 62 2HD PHE 62 -0.912 -1.309 7.595 430 HE1 PHE 62 1HE PHE 62 3.127 1.424 8.248 431 HE2 PHE 62 2HE PHE 62 -0.341 -0.479 9.838 432 HZ PHE 62 HZ PHE 62 1.680 0.890 10.167 433 H ALA 63 H ALA 63 -2.019 1.650 5.780 434 HA ALA 63 HA ALA 63 -0.796 3.930 4.539 435 1HB ALA 63 1HB ALA 63 -3.129 3.988 5.270 436 2HB ALA 63 2HB ALA 63 -2.178 5.236 6.074 437 3HB ALA 63 3HB ALA 63 -2.615 3.762 6.941 438 H VAL 64 H VAL 64 1.255 4.397 5.016 439 HA VAL 64 HA VAL 64 2.542 3.451 7.368 440 HB VAL 64 HB VAL 64 3.482 5.433 5.286 441 1HG1 VAL 64 1HG1 VAL 64 5.742 4.972 6.050 442 2HG1 VAL 64 2HG1 VAL 64 5.116 3.918 7.321 443 3HG1 VAL 64 3HG1 VAL 64 4.776 5.649 7.363 444 1HG2 VAL 64 1HG2 VAL 64 2.934 3.247 4.380 445 2HG2 VAL 64 2HG2 VAL 64 3.960 2.473 5.586 446 3HG2 VAL 64 3HG2 VAL 64 4.677 3.510 4.357 447 H ASN 65 H ASN 65 1.065 6.494 6.499 448 HA ASN 65 HA ASN 65 2.242 7.932 8.716 449 2HB ASN 65 2HB ASN 65 0.889 9.808 7.996 450 1HD2 ASN 65 1HD2 ASN 65 2.982 10.352 7.359 451 2HD2 ASN 65 2HD2 ASN 65 3.497 10.178 5.715 452 H GLU 66 H GLU 66 -0.902 6.561 7.890 453 HA GLU 66 HA GLU 66 -2.112 7.531 10.332 454 2HB GLU 66 2HB GLU 66 -3.568 5.579 8.671 455 2HG GLU 66 2HG GLU 66 -4.612 7.055 10.399 456 H ASP 67 H ASP 67 -0.560 4.698 9.209 457 HA ASP 67 HA ASP 67 -0.104 2.665 10.074 458 2HB ASP 67 2HB ASP 67 -1.128 3.486 12.771 459 H LYS 68 H LYS 68 -1.907 2.002 8.711 460 HA LYS 68 HA LYS 68 -3.691 0.253 10.038 461 2HB LYS 68 2HB LYS 68 -4.884 2.426 10.459 462 2HG LYS 68 2HG LYS 68 -5.145 2.455 7.460 463 2HD LYS 68 2HD LYS 68 -7.286 2.949 8.657 464 2HE LYS 68 2HE LYS 68 -5.680 5.264 9.722 465 1HZ LYS 68 1HZ LYS 68 -8.591 4.703 9.920 466 2HZ LYS 68 2HZ LYS 68 -7.875 5.995 9.094 467 3HZ LYS 68 3HZ LYS 68 -7.772 5.908 10.781 468 H GLU 69 H GLU 69 -4.910 -1.053 8.498 469 HA GLU 69 HA GLU 69 -3.799 -1.042 5.824 470 2HB GLU 69 2HB GLU 69 -5.356 -3.004 5.479 471 2HG GLU 69 2HG GLU 69 -2.999 -3.280 6.338 472 H LEU 70 H LEU 70 -4.613 0.147 4.232 473 HA LEU 70 HA LEU 70 -7.265 1.325 4.504 474 2HB LEU 70 2HB LEU 70 -6.710 2.555 2.473 475 HG LEU 70 HG LEU 70 -4.297 2.621 4.281 476 1HD1 LEU 70 1HD1 LEU 70 -4.054 4.888 3.347 477 2HD1 LEU 70 2HD1 LEU 70 -5.408 4.566 2.253 478 3HD1 LEU 70 3HD1 LEU 70 -3.917 3.632 2.112 479 1HD2 LEU 70 1HD2 LEU 70 -6.384 3.023 5.524 480 2HD2 LEU 70 2HD2 LEU 70 -6.829 4.271 4.360 481 3HD2 LEU 70 3HD2 LEU 70 -5.413 4.489 5.387 482 H CYS 71 H CYS 71 -5.537 -0.230 1.845 483 HA CYS 71 HA CYS 71 -8.097 -1.301 0.882 484 2HB CYS 71 2HB CYS 71 -7.231 -0.967 -1.411 485 HG CYS 71 HG CYS 71 -8.787 1.117 -0.018 486 H HIS 72 H HIS 72 -7.680 -3.085 -0.768 487 HA HIS 72 HA HIS 72 -5.472 -4.830 0.103 488 2HB HIS 72 2HB HIS 72 -7.321 -5.674 1.343 489 HD1 HIS 72 1HD HIS 72 -8.857 -6.104 -2.137 490 HD2 HIS 72 2HD HIS 72 -9.824 -4.683 1.652 491 HE1 HIS 72 1HE HIS 72 -11.278 -5.444 -2.255 492 H TYR 73 H TYR 73 -5.806 -6.965 -1.456 493 HA TYR 73 HA TYR 73 -5.096 -6.254 -4.017 494 2HB TYR 73 2HB TYR 73 -4.778 -8.516 -3.103 495 HD1 TYR 73 1HD TYR 73 -6.334 -8.712 -1.056 496 HD2 TYR 73 2HD TYR 73 -7.493 -9.721 -5.010 497 HE1 TYR 73 1HE TYR 73 -8.149 -10.116 -0.158 498 HE2 TYR 73 2HE TYR 73 -9.311 -11.116 -4.140 499 HH TYR 73 HH TYR 73 -9.876 -12.327 -2.077 500 H PHE 74 H PHE 74 -6.161 -5.974 -5.949 501 HA PHE 74 HA PHE 74 -7.761 -5.067 -7.270 502 2HB PHE 74 2HB PHE 74 -10.209 -5.466 -6.697 503 HD1 PHE 74 1HD PHE 74 -10.061 -6.289 -8.937 504 HD2 PHE 74 2HD PHE 74 -8.474 -8.541 -5.694 505 HE1 PHE 74 1HE PHE 74 -9.874 -8.257 -10.401 506 HE2 PHE 74 2HE PHE 74 -8.280 -10.513 -7.151 507 HZ PHE 74 HZ PHE 74 -8.981 -10.371 -9.510 508 H LEU 75 H LEU 75 -7.390 -3.008 -7.111 509 HA LEU 75 HA LEU 75 -7.155 -1.496 -4.829 510 2HB LEU 75 2HB LEU 75 -7.875 -0.416 -7.542 511 HG LEU 75 HG LEU 75 -7.622 1.281 -5.725 512 1HD1 LEU 75 1HD1 LEU 75 -5.957 0.096 -4.378 513 2HD1 LEU 75 2HD1 LEU 75 -5.386 1.702 -4.838 514 3HD1 LEU 75 3HD1 LEU 75 -4.779 0.275 -5.682 515 1HD2 LEU 75 1HD2 LEU 75 -6.107 2.711 -6.984 516 2HD2 LEU 75 2HD2 LEU 75 -7.170 1.816 -8.069 517 3HD2 LEU 75 3HD2 LEU 75 -5.494 1.306 -7.857 518 H ASP 76 H ASP 76 -8.594 -0.802 -3.404 519 HA ASP 76 HA ASP 76 -11.386 -0.777 -3.828 520 2HB ASP 76 2HB ASP 76 -11.442 0.494 -1.659 521 H SER 77 H SER 77 -8.865 1.606 -4.116 522 HA SER 77 HA SER 77 -8.700 3.468 -5.374 523 2HB SER 77 2HB SER 77 -10.422 4.033 -7.007 524 HG SER 77 HG SER 77 -10.260 1.206 -6.845 525 H ASP 78 H ASP 78 -11.936 3.379 -3.854 526 HA ASP 78 HA ASP 78 -12.001 6.234 -3.597 527 2HB ASP 78 2HB ASP 78 -13.778 4.135 -2.345 528 H VAL 79 H VAL 79 -11.648 3.556 -1.277 529 HA VAL 79 HA VAL 79 -11.476 5.082 1.032 530 HB VAL 79 HB VAL 79 -10.400 2.369 0.344 531 1HG1 VAL 79 1HG1 VAL 79 -8.783 3.291 1.932 532 2HG1 VAL 79 2HG1 VAL 79 -9.774 2.048 2.695 533 3HG1 VAL 79 3HG1 VAL 79 -10.100 3.752 3.014 534 1HG2 VAL 79 1HG2 VAL 79 -12.084 1.717 2.037 535 2HG2 VAL 79 2HG2 VAL 79 -12.777 2.587 0.667 536 3HG2 VAL 79 3HG2 VAL 79 -12.525 3.417 2.204 537 H ILE 80 H ILE 80 -8.714 3.975 -0.997 538 HA ILE 80 HA ILE 80 -6.789 5.353 0.551 539 HB ILE 80 HB ILE 80 -6.022 3.639 -0.957 540 2HG1 ILE 80 2HG1 ILE 80 -5.060 6.364 -1.842 541 1HG2 ILE 80 1HG2 ILE 80 -7.717 3.899 -2.670 542 2HG2 ILE 80 2HG2 ILE 80 -6.092 3.868 -3.352 543 3HG2 ILE 80 3HG2 ILE 80 -6.951 5.401 -3.192 544 1HD1 ILE 80 1HD1 ILE 80 -3.955 4.506 0.235 545 2HD1 ILE 80 2HD1 ILE 80 -4.779 6.034 0.538 546 3HD1 ILE 80 3HD1 ILE 80 -3.228 6.020 -0.301 547 H GLY 81 H GLY 81 -8.913 6.392 -2.033 548 1HA GLY 81 1HA GLY 81 -7.680 8.843 -2.661 549 2HA GLY 81 2HA GLY 81 -9.393 8.486 -2.848 550 H ALA 82 H ALA 82 -9.946 7.939 -0.124 551 HA ALA 82 HA ALA 82 -10.413 10.543 0.892 552 1HB ALA 82 1HB ALA 82 -11.919 8.702 1.390 553 2HB ALA 82 2HB ALA 82 -11.258 9.351 2.893 554 3HB ALA 82 3HB ALA 82 -10.629 7.841 2.233 555 H TYR 83 H TYR 83 -7.910 8.195 1.377 556 HA TYR 83 HA TYR 83 -6.774 9.501 3.694 557 2HB TYR 83 2HB TYR 83 -5.929 7.144 1.999 558 HD1 TYR 83 1HD TYR 83 -5.295 7.950 5.568 559 HD2 TYR 83 2HD TYR 83 -3.602 7.228 1.730 560 HE1 TYR 83 1HE TYR 83 -3.062 7.805 6.583 561 HE2 TYR 83 2HE TYR 83 -1.365 7.080 2.734 562 HH TYR 83 HH TYR 83 -0.184 7.796 4.737 563 H LEU 84 H LEU 84 -6.190 9.267 0.256 564 HA LEU 84 HA LEU 84 -3.653 10.654 0.420 565 2HB LEU 84 2HB LEU 84 -4.445 10.382 -2.269 566 HG LEU 84 HG LEU 84 -2.820 8.457 -2.310 567 1HD1 LEU 84 1HD1 LEU 84 -1.926 11.041 -1.039 568 2HD1 LEU 84 2HD1 LEU 84 -2.080 10.717 -2.767 569 3HD1 LEU 84 3HD1 LEU 84 -0.862 9.869 -1.815 570 1HD2 LEU 84 1HD2 LEU 84 -3.194 7.684 -0.019 571 2HD2 LEU 84 2HD2 LEU 84 -2.474 9.176 0.593 572 3HD2 LEU 84 3HD2 LEU 84 -1.494 8.036 -0.330 573 H SER 85 H SER 85 -6.527 11.831 0.839 574 HA SER 85 HA SER 85 -6.695 13.931 -1.071 575 2HB SER 85 2HB SER 85 -8.322 14.935 0.498 576 HG SER 85 HG SER 85 -8.441 12.257 -0.262 Start of MODEL 5 1 HA MET 1 HA MET 1 5.983 30.343 7.738 2 2HB MET 1 2HB MET 1 4.092 30.993 6.228 3 2HG MET 1 2HG MET 1 6.356 32.979 6.287 4 1HE MET 1 1HE MET 1 5.862 33.989 3.899 5 2HE MET 1 2HE MET 1 4.249 34.400 3.320 6 3HE MET 1 3HE MET 1 4.681 32.714 3.610 7 H ASN 2 H ASN 2 4.629 28.596 7.940 8 HA ASN 2 HA ASN 2 5.315 26.304 6.305 9 2HB ASN 2 2HB ASN 2 3.464 26.495 8.693 10 1HD2 ASN 2 1HD2 ASN 2 2.814 24.552 9.576 11 2HD2 ASN 2 2HD2 ASN 2 2.935 23.052 8.720 12 H ASN 3 H ASN 3 4.324 26.292 4.374 13 HA ASN 3 HA ASN 3 1.402 26.682 4.342 14 2HB ASN 3 2HB ASN 3 3.462 27.144 2.179 15 1HD2 ASN 3 1HD2 ASN 3 0.201 28.402 2.440 16 2HD2 ASN 3 2HD2 ASN 3 -0.376 27.700 0.964 17 H GLN 4 H GLN 4 4.018 24.814 2.804 18 HA GLN 4 HA GLN 4 2.029 22.706 2.276 19 2HB GLN 4 2HB GLN 4 2.923 23.641 0.219 20 2HG GLN 4 2HG GLN 4 5.639 22.673 1.040 21 1HE2 GLN 4 1HE2 GLN 4 4.733 25.536 -0.713 22 2HE2 GLN 4 2HE2 GLN 4 5.329 25.037 -2.259 23 H VAL 5 H VAL 5 2.567 20.582 2.664 24 HA VAL 5 HA VAL 5 4.717 20.231 4.644 25 HB VAL 5 HB VAL 5 3.333 18.370 5.539 26 1HG1 VAL 5 1HG1 VAL 5 1.660 19.792 6.629 27 2HG1 VAL 5 2HG1 VAL 5 1.963 21.056 5.437 28 3HG1 VAL 5 3HG1 VAL 5 3.235 20.582 6.560 29 1HG2 VAL 5 1HG2 VAL 5 1.281 19.412 3.588 30 2HG2 VAL 5 2HG2 VAL 5 0.976 18.219 4.852 31 3HG2 VAL 5 3HG2 VAL 5 2.076 17.838 3.527 32 H GLU 6 H GLU 6 4.864 17.577 4.856 33 HA GLU 6 HA GLU 6 6.162 16.865 2.364 34 2HB GLU 6 2HB GLU 6 7.272 16.584 4.581 35 2HG GLU 6 2HG GLU 6 5.369 14.281 4.938 36 HA PRO 7 HA PRO 7 3.031 14.041 1.058 37 2HB PRO 7 2HB PRO 7 4.313 13.982 -0.879 38 2HG PRO 7 2HG PRO 7 6.626 13.653 -0.798 39 2HD PRO 7 2HD PRO 7 6.475 15.477 0.587 40 H ARG 8 H ARG 8 2.292 11.786 1.083 41 HA ARG 8 HA ARG 8 3.161 10.442 3.532 42 2HB ARG 8 2HB ARG 8 1.074 9.085 3.210 43 2HG ARG 8 2HG ARG 8 1.152 11.425 4.391 44 2HD ARG 8 2HD ARG 8 -0.812 11.946 2.169 45 HE ARG 8 HE ARG 8 0.053 13.667 4.414 46 1HH1 ARG 8 1HH1 ARG 8 -2.323 12.770 1.990 47 2HH1 ARG 8 2HH1 ARG 8 -3.558 13.811 2.624 48 1HH2 ARG 8 1HH2 ARG 8 -1.577 15.005 5.273 49 2HH2 ARG 8 2HH2 ARG 8 -3.154 15.047 4.532 50 H LYS 9 H LYS 9 3.061 7.950 3.388 51 HA LYS 9 HA LYS 9 4.028 7.014 0.769 52 2HB LYS 9 2HB LYS 9 5.307 5.262 2.229 53 2HG LYS 9 2HG LYS 9 6.338 8.086 2.161 54 2HD LYS 9 2HD LYS 9 7.654 6.663 3.619 55 2HE LYS 9 2HE LYS 9 7.950 4.802 1.255 56 1HZ LYS 9 1HZ LYS 9 9.906 4.864 2.646 57 2HZ LYS 9 2HZ LYS 9 9.091 3.393 2.876 58 3HZ LYS 9 3HZ LYS 9 8.971 4.625 4.041 59 H LEU 10 H LEU 10 3.358 5.014 0.108 60 HA LEU 10 HA LEU 10 1.473 3.601 1.873 61 2HB LEU 10 2HB LEU 10 0.370 2.773 -0.179 62 HG LEU 10 HG LEU 10 0.478 5.788 -0.197 63 1HD1 LEU 10 1HD1 LEU 10 -1.626 3.855 -1.155 64 2HD1 LEU 10 2HD1 LEU 10 -0.540 4.790 -2.184 65 3HD1 LEU 10 3HD1 LEU 10 -1.735 5.616 -1.184 66 1HD2 LEU 10 1HD2 LEU 10 -1.456 5.684 1.289 67 2HD2 LEU 10 2HD2 LEU 10 -0.046 4.931 2.035 68 3HD2 LEU 10 3HD2 LEU 10 -1.323 3.926 1.349 69 H VAL 11 H VAL 11 1.998 1.592 2.381 70 HA VAL 11 HA VAL 11 4.144 0.284 0.853 71 HB VAL 11 HB VAL 11 3.297 -0.097 3.733 72 1HG1 VAL 11 1HG1 VAL 11 5.328 -1.679 2.157 73 2HG1 VAL 11 2HG1 VAL 11 3.747 -2.272 2.668 74 3HG1 VAL 11 3HG1 VAL 11 4.968 -1.860 3.875 75 1HG2 VAL 11 1HG2 VAL 11 4.781 1.804 3.323 76 2HG2 VAL 11 2HG2 VAL 11 5.921 0.744 2.494 77 3HG2 VAL 11 3HG2 VAL 11 5.613 0.532 4.216 78 H VAL 12 H VAL 12 3.649 -1.416 -0.302 79 HA VAL 12 HA VAL 12 1.092 -2.768 0.172 80 HB VAL 12 HB VAL 12 3.014 -3.026 -2.147 81 1HG1 VAL 12 1HG1 VAL 12 0.293 -4.236 -1.713 82 2HG1 VAL 12 2HG1 VAL 12 1.830 -5.097 -1.757 83 3HG1 VAL 12 3HG1 VAL 12 1.213 -4.321 -3.218 84 1HG2 VAL 12 1HG2 VAL 12 1.278 -1.881 -3.448 85 2HG2 VAL 12 2HG2 VAL 12 1.903 -0.873 -2.142 86 3HG2 VAL 12 3HG2 VAL 12 0.337 -1.664 -1.973 87 H TYR 13 H TYR 13 1.308 -4.317 1.688 88 HA TYR 13 HA TYR 13 3.740 -5.835 1.946 89 2HB TYR 13 2HB TYR 13 2.357 -7.228 3.558 90 HD1 TYR 13 1HD TYR 13 0.717 -4.948 5.228 91 HD2 TYR 13 2HD TYR 13 4.679 -5.439 3.762 92 HE1 TYR 13 1HE TYR 13 1.556 -3.487 7.018 93 HE2 TYR 13 2HE TYR 13 5.526 -3.975 5.544 94 HH TYR 13 HH TYR 13 4.712 -2.212 7.023 95 H GLY 14 H GLY 14 4.250 -7.195 0.404 96 1HA GLY 14 1HA GLY 14 2.201 -9.131 -0.470 97 2HA GLY 14 2HA GLY 14 3.287 -8.374 -1.631 98 H ARG 15 H ARG 15 4.284 -10.278 -2.280 99 HA ARG 15 HA ARG 15 6.559 -10.989 -0.811 100 2HB ARG 15 2HB ARG 15 5.175 -12.263 0.654 101 2HG ARG 15 2HG ARG 15 3.941 -13.468 -1.808 102 2HD ARG 15 2HD ARG 15 2.690 -14.899 -0.270 103 HE ARG 15 HE ARG 15 5.599 -15.216 -0.379 104 1HH1 ARG 15 1HH1 ARG 15 2.426 -16.637 0.018 105 2HH1 ARG 15 2HH1 ARG 15 3.008 -18.273 -0.097 106 1HH2 ARG 15 1HH2 ARG 15 6.370 -17.343 -0.552 107 2HH2 ARG 15 2HH2 ARG 15 5.260 -18.679 -0.420 108 H GLU 16 H GLU 16 7.822 -10.966 -2.533 109 HA GLU 16 HA GLU 16 8.972 -11.841 -4.282 110 2HB GLU 16 2HB GLU 16 8.672 -14.164 -4.848 111 2HG GLU 16 2HG GLU 16 8.371 -13.482 -1.963 112 H GLY 17 H GLY 17 6.014 -13.461 -5.277 113 1HA GLY 17 1HA GLY 17 5.471 -11.398 -7.268 114 2HA GLY 17 2HA GLY 17 5.899 -12.996 -7.864 115 H CYS 18 H CYS 18 3.357 -11.221 -7.731 116 HA CYS 18 HA CYS 18 1.541 -13.427 -7.305 117 2HB CYS 18 2HB CYS 18 1.343 -10.908 -5.636 118 HG CYS 18 HG CYS 18 -0.762 -12.839 -4.339 119 H HIS 19 H HIS 19 -0.325 -13.214 -8.475 120 HA HIS 19 HA HIS 19 -0.302 -11.503 -10.701 121 2HB HIS 19 2HB HIS 19 -2.646 -12.274 -11.061 122 HD1 HIS 19 1HD HIS 19 -1.421 -15.282 -9.272 123 HD2 HIS 19 2HD HIS 19 -1.081 -13.572 -13.051 124 HE1 HIS 19 1HE HIS 19 -0.504 -17.094 -10.757 125 H LEU 20 H LEU 20 -1.803 -11.198 -7.552 126 HA LEU 20 HA LEU 20 -3.494 -9.006 -8.260 127 2HB LEU 20 2HB LEU 20 -2.886 -9.141 -5.441 128 HG LEU 20 HG LEU 20 -5.250 -9.782 -5.201 129 1HD1 LEU 20 1HD1 LEU 20 -4.646 -7.420 -5.425 130 2HD1 LEU 20 2HD1 LEU 20 -6.224 -7.761 -6.139 131 3HD1 LEU 20 3HD1 LEU 20 -4.813 -7.548 -7.178 132 1HD2 LEU 20 1HD2 LEU 20 -6.675 -9.996 -7.150 133 2HD2 LEU 20 2HD2 LEU 20 -5.392 -11.208 -7.206 134 3HD2 LEU 20 3HD2 LEU 20 -5.289 -9.763 -8.217 135 H CYS 21 H CYS 21 -0.251 -9.319 -6.956 136 HA CYS 21 HA CYS 21 0.078 -6.641 -6.139 137 2HB CYS 21 2HB CYS 21 2.511 -7.120 -6.289 138 HG CYS 21 HG CYS 21 1.865 -7.784 -3.824 139 H GLU 22 H GLU 22 0.708 -8.290 -9.199 140 HA GLU 22 HA GLU 22 1.894 -6.249 -10.652 141 2HB GLU 22 2HB GLU 22 1.123 -7.391 -12.638 142 2HG GLU 22 2HG GLU 22 1.522 -9.799 -12.119 143 H GLU 23 H GLU 23 -1.486 -6.816 -9.907 144 HA GLU 23 HA GLU 23 -2.499 -4.837 -11.694 145 2HB GLU 23 2HB GLU 23 -4.651 -5.267 -10.557 146 2HG GLU 23 2HG GLU 23 -4.892 -7.634 -11.024 147 H MET 24 H MET 24 -2.046 -4.981 -8.158 148 HA MET 24 HA MET 24 -3.121 -2.396 -7.694 149 2HB MET 24 2HB MET 24 -2.082 -2.565 -5.454 150 2HG MET 24 2HG MET 24 -3.343 -5.175 -6.258 151 1HE MET 24 1HE MET 24 -2.703 -2.435 -3.495 152 2HE MET 24 2HE MET 24 -3.441 -3.196 -2.085 153 3HE MET 24 3HE MET 24 -4.448 -2.684 -3.440 154 H ILE 25 H ILE 25 0.208 -3.558 -8.122 155 HA ILE 25 HA ILE 25 1.514 -1.163 -7.497 156 HB ILE 25 HB ILE 25 2.314 -3.385 -9.374 157 2HG1 ILE 25 2HG1 ILE 25 2.107 -3.981 -6.992 158 1HG2 ILE 25 1HG2 ILE 25 3.997 -1.072 -8.410 159 2HG2 ILE 25 2HG2 ILE 25 3.480 -1.372 -10.070 160 3HG2 ILE 25 3HG2 ILE 25 4.593 -2.485 -9.279 161 1HD1 ILE 25 1HD1 ILE 25 5.005 -3.777 -7.794 162 2HD1 ILE 25 2HD1 ILE 25 3.899 -5.075 -8.248 163 3HD1 ILE 25 3HD1 ILE 25 4.323 -4.835 -6.554 164 H ALA 26 H ALA 26 0.384 -2.374 -10.652 165 HA ALA 26 HA ALA 26 1.254 -0.198 -12.190 166 1HB ALA 26 1HB ALA 26 -0.337 -0.962 -13.878 167 2HB ALA 26 2HB ALA 26 -1.121 -1.996 -12.684 168 3HB ALA 26 3HB ALA 26 0.544 -2.317 -13.173 169 H SER 27 H SER 27 -1.742 -0.754 -10.427 170 HA SER 27 HA SER 27 -3.175 1.493 -11.332 171 2HB SER 27 2HB SER 27 -4.583 1.113 -9.313 172 HG SER 27 HG SER 27 -3.826 -1.398 -10.398 173 H LEU 28 H LEU 28 -1.020 1.039 -8.552 174 HA LEU 28 HA LEU 28 -1.486 3.615 -7.457 175 2HB LEU 28 2HB LEU 28 0.545 3.144 -6.097 176 HG LEU 28 HG LEU 28 -1.338 0.784 -6.227 177 1HD1 LEU 28 1HD1 LEU 28 0.731 0.325 -5.000 178 2HD1 LEU 28 2HD1 LEU 28 -0.670 0.386 -3.931 179 3HD1 LEU 28 3HD1 LEU 28 0.445 1.752 -3.999 180 1HD2 LEU 28 1HD2 LEU 28 -2.558 1.924 -4.445 181 2HD2 LEU 28 2HD2 LEU 28 -2.527 2.893 -5.918 182 3HD2 LEU 28 3HD2 LEU 28 -1.465 3.302 -4.571 183 H ARG 29 H ARG 29 0.869 2.348 -9.745 184 HA ARG 29 HA ARG 29 2.657 4.498 -9.803 185 2HB ARG 29 2HB ARG 29 3.133 3.766 -12.156 186 2HG ARG 29 2HG ARG 29 3.847 1.480 -11.684 187 2HD ARG 29 2HD ARG 29 5.303 1.928 -9.806 188 HE ARG 29 HE ARG 29 4.920 4.272 -11.556 189 1HH1 ARG 29 1HH1 ARG 29 7.038 2.138 -9.745 190 2HH1 ARG 29 2HH1 ARG 29 8.493 2.800 -10.425 191 1HH2 ARG 29 1HH2 ARG 29 6.846 5.149 -12.432 192 2HH2 ARG 29 2HH2 ARG 29 8.382 4.504 -11.942 193 H VAL 30 H VAL 30 -0.385 4.002 -11.521 194 HA VAL 30 HA VAL 30 -0.236 6.348 -13.096 195 HB VAL 30 HB VAL 30 -2.681 4.794 -12.221 196 1HG1 VAL 30 1HG1 VAL 30 -3.280 7.034 -12.969 197 2HG1 VAL 30 2HG1 VAL 30 -3.783 5.831 -14.158 198 3HG1 VAL 30 3HG1 VAL 30 -2.342 6.808 -14.444 199 1HG2 VAL 30 1HG2 VAL 30 -1.044 4.633 -14.752 200 2HG2 VAL 30 2HG2 VAL 30 -2.521 3.728 -14.415 201 3HG2 VAL 30 3HG2 VAL 30 -1.069 3.435 -13.456 202 H LEU 31 H LEU 31 -1.634 5.673 -9.909 203 HA LEU 31 HA LEU 31 -2.839 8.221 -9.591 204 2HB LEU 31 2HB LEU 31 -2.305 7.392 -7.033 205 HG LEU 31 HG LEU 31 -4.602 6.311 -8.669 206 1HD1 LEU 31 1HD1 LEU 31 -4.344 5.246 -6.501 207 2HD1 LEU 31 2HD1 LEU 31 -5.758 6.299 -6.506 208 3HD1 LEU 31 3HD1 LEU 31 -4.270 6.825 -5.718 209 1HD2 LEU 31 1HD2 LEU 31 -5.832 8.296 -7.902 210 2HD2 LEU 31 2HD2 LEU 31 -4.471 8.725 -8.942 211 3HD2 LEU 31 3HD2 LEU 31 -4.346 8.931 -7.193 212 H GLN 32 H GLN 32 0.374 6.986 -8.960 213 HA GLN 32 HA GLN 32 1.393 9.018 -7.345 214 2HB GLN 32 2HB GLN 32 3.613 8.424 -8.411 215 2HG GLN 32 2HG GLN 32 1.981 6.057 -7.539 216 1HE2 GLN 32 1HE2 GLN 32 4.097 5.533 -5.615 217 2HE2 GLN 32 2HE2 GLN 32 5.411 4.856 -6.514 218 H LYS 33 H LYS 33 0.511 9.080 -10.664 219 HA LYS 33 HA LYS 33 2.202 11.260 -11.413 220 2HB LYS 33 2HB LYS 33 0.938 11.241 -13.504 221 2HG LYS 33 2HG LYS 33 1.418 8.395 -12.672 222 2HD LYS 33 2HD LYS 33 2.287 8.244 -14.987 223 2HE LYS 33 2HE LYS 33 -0.545 9.263 -14.794 224 1HZ LYS 33 1HZ LYS 33 0.724 7.468 -16.797 225 2HZ LYS 33 2HZ LYS 33 0.232 9.067 -17.072 226 3HZ LYS 33 3HZ LYS 33 -0.924 7.872 -16.730 227 H LYS 34 H LYS 34 -0.828 10.963 -9.841 228 HA LYS 34 HA LYS 34 -1.385 13.823 -10.258 229 2HB LYS 34 2HB LYS 34 -3.591 13.257 -9.109 230 2HG LYS 34 2HG LYS 34 -3.200 13.363 -11.673 231 2HD LYS 34 2HD LYS 34 -3.686 10.415 -11.249 232 2HE LYS 34 2HE LYS 34 -3.812 10.265 -13.667 233 1HZ LYS 34 1HZ LYS 34 -5.885 10.703 -12.415 234 2HZ LYS 34 2HZ LYS 34 -5.934 11.265 -14.014 235 3HZ LYS 34 3HZ LYS 34 -5.706 12.359 -12.740 236 H SER 35 H SER 35 -0.907 11.349 -7.813 237 HA SER 35 HA SER 35 -0.241 13.435 -5.879 238 2HB SER 35 2HB SER 35 -1.603 12.412 -4.146 239 HG SER 35 HG SER 35 -2.588 13.611 -6.272 240 H TRP 36 H TRP 36 1.694 12.975 -5.054 241 HA TRP 36 HA TRP 36 2.826 10.368 -5.533 242 2HB TRP 36 2HB TRP 36 4.137 12.720 -4.163 243 HD1 TRP 36 HD TRP 36 5.930 11.363 -2.795 244 HE1 TRP 36 1HE TRP 36 7.796 9.704 -3.451 245 HE3 TRP 36 3HE TRP 36 4.660 10.595 -7.695 246 HZ2 TRP 36 2HZ TRP 36 8.615 8.282 -5.733 247 HZ3 TRP 36 3HZ TRP 36 6.042 9.068 -9.043 248 HH2 TRP 36 HH TRP 36 7.977 7.938 -8.081 249 H PHE 37 H PHE 37 2.830 8.774 -4.164 250 HA PHE 37 HA PHE 37 2.884 9.328 -1.286 251 2HB PHE 37 2HB PHE 37 0.622 8.750 -1.544 252 HD1 PHE 37 1HD PHE 37 2.046 5.609 -2.992 253 HD2 PHE 37 2HD PHE 37 -0.693 8.840 -3.424 254 HE1 PHE 37 1HE PHE 37 1.085 4.528 -4.977 255 HE2 PHE 37 2HE PHE 37 -1.654 7.763 -5.410 256 HZ PHE 37 HZ PHE 37 -0.765 5.605 -6.191 257 H GLU 38 H GLU 38 4.814 8.465 -3.431 258 HA GLU 38 HA GLU 38 6.511 6.985 -3.752 259 2HB GLU 38 2HB GLU 38 7.235 5.711 -1.660 260 2HG GLU 38 2HG GLU 38 7.670 7.885 -0.334 261 H LEU 39 H LEU 39 7.072 4.493 -3.369 262 HA LEU 39 HA LEU 39 4.719 2.871 -2.962 263 2HB LEU 39 2HB LEU 39 6.263 2.566 -5.533 264 HG LEU 39 HG LEU 39 5.297 0.462 -5.160 265 1HD1 LEU 39 1HD1 LEU 39 2.794 1.855 -4.213 266 2HD1 LEU 39 2HD1 LEU 39 3.988 1.082 -3.173 267 3HD1 LEU 39 3HD1 LEU 39 3.046 0.113 -4.306 268 1HD2 LEU 39 1HD2 LEU 39 3.418 0.331 -6.727 269 2HD2 LEU 39 2HD2 LEU 39 4.715 1.358 -7.346 270 3HD2 LEU 39 3HD2 LEU 39 3.257 2.089 -6.666 271 H GLU 40 H GLU 40 5.421 1.614 -1.425 272 HA GLU 40 HA GLU 40 8.100 0.435 -1.712 273 2HB GLU 40 2HB GLU 40 6.700 1.057 0.894 274 2HG GLU 40 2HG GLU 40 9.469 0.182 0.204 275 H VAL 41 H VAL 41 8.003 -1.657 -2.057 276 HA VAL 41 HA VAL 41 5.610 -3.132 -1.199 277 HB VAL 41 HB VAL 41 7.684 -3.950 -3.247 278 1HG1 VAL 41 1HG1 VAL 41 6.030 -5.676 -3.866 279 2HG1 VAL 41 2HG1 VAL 41 5.023 -5.172 -2.507 280 3HG1 VAL 41 3HG1 VAL 41 6.617 -5.865 -2.213 281 1HG2 VAL 41 1HG2 VAL 41 5.976 -3.453 -4.926 282 2HG2 VAL 41 2HG2 VAL 41 6.416 -2.013 -4.006 283 3HG2 VAL 41 3HG2 VAL 41 4.903 -2.853 -3.660 284 H ILE 42 H ILE 42 5.897 -4.072 0.694 285 HA ILE 42 HA ILE 42 8.559 -5.143 1.339 286 HB ILE 42 HB ILE 42 6.368 -4.253 3.217 287 2HG1 ILE 42 2HG1 ILE 42 7.533 -2.421 2.045 288 1HG2 ILE 42 1HG2 ILE 42 8.005 -4.630 5.000 289 2HG2 ILE 42 2HG2 ILE 42 9.146 -5.272 3.819 290 3HG2 ILE 42 3HG2 ILE 42 7.636 -6.125 4.142 291 1HD1 ILE 42 1HD1 ILE 42 8.471 -2.610 4.896 292 2HD1 ILE 42 2HD1 ILE 42 6.888 -2.030 4.378 293 3HD1 ILE 42 3HD1 ILE 42 8.343 -1.145 3.916 294 H ASN 43 H ASN 43 8.704 -7.259 1.237 295 HA ASN 43 HA ASN 43 6.438 -8.953 0.938 296 2HB ASN 43 2HB ASN 43 8.105 -10.808 1.058 297 1HD2 ASN 43 1HD2 ASN 43 10.564 -10.155 -0.332 298 2HD2 ASN 43 2HD2 ASN 43 10.110 -9.679 -1.930 299 H ILE 44 H ILE 44 5.341 -10.135 2.430 300 HA ILE 44 HA ILE 44 5.850 -9.900 5.212 301 HB ILE 44 HB ILE 44 4.321 -11.854 5.472 302 2HG1 ILE 44 2HG1 ILE 44 4.990 -12.984 3.339 303 1HG2 ILE 44 1HG2 ILE 44 3.450 -9.584 5.391 304 2HG2 ILE 44 2HG2 ILE 44 2.327 -10.707 4.623 305 3HG2 ILE 44 3HG2 ILE 44 3.353 -9.670 3.631 306 1HD1 ILE 44 1HD1 ILE 44 2.035 -12.434 3.526 307 2HD1 ILE 44 2HD1 ILE 44 2.912 -13.690 4.399 308 3HD1 ILE 44 3HD1 ILE 44 2.795 -13.759 2.642 309 H ASP 45 H ASP 45 6.968 -11.964 2.695 310 HA ASP 45 HA ASP 45 8.341 -13.942 4.089 311 2HB ASP 45 2HB ASP 45 8.917 -12.499 1.494 312 H GLY 46 H GLY 46 9.732 -13.656 5.702 313 1HA GLY 46 1HA GLY 46 11.983 -12.792 6.298 314 2HA GLY 46 2HA GLY 46 11.436 -11.239 5.675 315 H ASN 47 H ASN 47 8.736 -11.701 6.793 316 HA ASN 47 HA ASN 47 9.341 -11.333 9.655 317 2HB ASN 47 2HB ASN 47 7.167 -9.979 9.678 318 1HD2 ASN 47 1HD2 ASN 47 7.464 -7.707 7.923 319 2HD2 ASN 47 2HD2 ASN 47 8.911 -6.903 8.412 320 H GLU 48 H GLU 48 8.781 -13.150 10.652 321 HA GLU 48 HA GLU 48 7.055 -15.086 9.549 322 2HB GLU 48 2HB GLU 48 7.953 -14.798 12.420 323 2HG GLU 48 2HG GLU 48 7.166 -17.285 10.923 324 H HIS 49 H HIS 49 6.506 -12.448 11.788 325 HA HIS 49 HA HIS 49 4.023 -13.399 12.801 326 2HB HIS 49 2HB HIS 49 4.617 -10.479 12.695 327 HD1 HIS 49 1HD HIS 49 4.990 -11.927 15.975 328 HD2 HIS 49 2HD HIS 49 1.787 -10.756 13.582 329 HE1 HIS 49 1HE HIS 49 3.028 -11.679 17.534 330 H LEU 50 H LEU 50 4.950 -11.375 10.077 331 HA LEU 50 HA LEU 50 2.278 -10.589 9.424 332 2HB LEU 50 2HB LEU 50 3.302 -9.931 7.220 333 HG LEU 50 HG LEU 50 4.817 -8.852 9.597 334 1HD1 LEU 50 1HD1 LEU 50 5.824 -8.330 7.425 335 2HD1 LEU 50 2HD1 LEU 50 5.166 -6.895 8.209 336 3HD1 LEU 50 3HD1 LEU 50 4.288 -7.657 6.883 337 1HD2 LEU 50 1HD2 LEU 50 3.133 -7.098 9.656 338 2HD2 LEU 50 2HD2 LEU 50 2.389 -8.680 9.898 339 3HD2 LEU 50 3HD2 LEU 50 2.257 -7.872 8.334 340 H THR 51 H THR 51 4.501 -13.082 8.214 341 HA THR 51 HA THR 51 2.794 -14.021 6.165 342 HB THR 51 HB THR 51 4.944 -15.575 7.622 343 HG1 THR 51 1HG THR 51 6.034 -13.898 6.758 344 1HG2 THR 51 1HG2 THR 51 3.778 -15.920 4.851 345 2HG2 THR 51 2HG2 THR 51 3.447 -16.962 6.234 346 3HG2 THR 51 3HG2 THR 51 5.077 -16.884 5.560 347 H ARG 52 H ARG 52 2.892 -14.599 9.579 348 HA ARG 52 HA ARG 52 1.399 -16.986 9.671 349 2HB ARG 52 2HB ARG 52 1.597 -14.731 11.682 350 2HG ARG 52 2HG ARG 52 -0.223 -16.615 11.905 351 2HD ARG 52 2HD ARG 52 0.530 -18.504 13.186 352 HE ARG 52 HE ARG 52 2.150 -18.304 10.721 353 1HH1 ARG 52 1HH1 ARG 52 -0.137 -19.986 12.777 354 2HH1 ARG 52 2HH1 ARG 52 -0.245 -21.373 11.726 355 1HH2 ARG 52 1HH2 ARG 52 1.988 -20.114 9.332 356 2HH2 ARG 52 2HH2 ARG 52 0.969 -21.448 9.784 357 H LEU 53 H LEU 53 0.559 -13.590 9.533 358 HA LEU 53 HA LEU 53 -2.285 -14.124 9.846 359 2HB LEU 53 2HB LEU 53 -2.418 -11.603 9.598 360 HG LEU 53 HG LEU 53 -0.729 -12.714 11.835 361 1HD1 LEU 53 1HD1 LEU 53 -1.949 -9.964 11.589 362 2HD1 LEU 53 2HD1 LEU 53 -0.227 -10.333 11.498 363 3HD1 LEU 53 3HD1 LEU 53 -1.109 -10.614 12.999 364 1HD2 LEU 53 1HD2 LEU 53 -3.617 -11.864 11.633 365 2HD2 LEU 53 2HD2 LEU 53 -2.812 -12.409 13.108 366 3HD2 LEU 53 3HD2 LEU 53 -3.019 -13.520 11.752 367 H TYR 54 H TYR 54 -0.098 -12.707 7.421 368 HA TYR 54 HA TYR 54 -2.404 -12.442 5.628 369 2HB TYR 54 2HB TYR 54 -1.101 -10.747 4.460 370 HD1 TYR 54 1HD TYR 54 -3.275 -10.733 6.491 371 HD2 TYR 54 2HD TYR 54 0.643 -9.077 6.620 372 HE1 TYR 54 1HE TYR 54 -4.046 -9.055 8.114 373 HE2 TYR 54 2HE TYR 54 -0.119 -7.389 8.238 374 HH TYR 54 HH TYR 54 -2.242 -6.307 8.908 375 H ASN 55 H ASN 55 -0.562 -14.905 6.024 376 HA ASN 55 HA ASN 55 0.956 -15.383 3.770 377 2HB ASN 55 2HB ASN 55 -0.871 -17.348 5.168 378 1HD2 ASN 55 1HD2 ASN 55 -1.305 -18.710 3.452 379 2HD2 ASN 55 2HD2 ASN 55 -0.075 -19.572 2.593 380 H ASP 56 H ASP 56 -2.559 -15.756 4.086 381 HA ASP 56 HA ASP 56 -2.715 -15.669 1.144 382 2HB ASP 56 2HB ASP 56 -4.594 -17.162 2.993 383 H ARG 57 H ARG 57 -2.737 -13.585 3.205 384 HA ARG 57 HA ARG 57 -5.305 -12.343 2.555 385 2HB ARG 57 2HB ARG 57 -5.311 -11.383 4.898 386 2HG ARG 57 2HG ARG 57 -6.000 -13.491 6.097 387 2HD ARG 57 2HD ARG 57 -7.533 -12.032 4.698 388 HE ARG 57 HE ARG 57 -6.744 -13.850 2.601 389 1HH1 ARG 57 1HH1 ARG 57 -9.211 -11.666 3.784 390 2HH1 ARG 57 2HH1 ARG 57 -10.020 -11.536 2.246 391 1HH2 ARG 57 1HH2 ARG 57 -7.757 -13.639 0.555 392 2HH2 ARG 57 2HH2 ARG 57 -9.175 -12.643 0.398 393 H VAL 58 H VAL 58 -2.818 -11.986 1.274 394 HA VAL 58 HA VAL 58 -1.471 -9.837 2.596 395 HB VAL 58 HB VAL 58 -0.301 -10.146 0.080 396 1HG1 VAL 58 1HG1 VAL 58 0.836 -9.643 2.168 397 2HG1 VAL 58 2HG1 VAL 58 1.567 -11.043 1.379 398 3HG1 VAL 58 3HG1 VAL 58 0.490 -11.269 2.759 399 1HG2 VAL 58 1HG2 VAL 58 0.211 -12.538 -0.029 400 2HG2 VAL 58 2HG2 VAL 58 -1.517 -12.246 -0.229 401 3HG2 VAL 58 3HG2 VAL 58 -0.896 -12.841 1.312 402 HA PRO 59 HA PRO 59 -0.939 -7.398 -1.187 403 2HB PRO 59 2HB PRO 59 -2.297 -7.084 -3.078 404 2HG PRO 59 2HG PRO 59 -1.509 -9.204 -3.423 405 2HD PRO 59 2HD PRO 59 -0.988 -10.334 -1.532 406 H VAL 60 H VAL 60 -1.075 -6.652 1.112 407 HA VAL 60 HA VAL 60 -3.504 -5.168 1.773 408 HB VAL 60 HB VAL 60 -2.001 -5.005 4.037 409 1HG1 VAL 60 1HG1 VAL 60 -3.353 -6.791 4.939 410 2HG1 VAL 60 2HG1 VAL 60 -3.689 -7.405 3.320 411 3HG1 VAL 60 3HG1 VAL 60 -4.335 -5.837 3.826 412 1HG2 VAL 60 1HG2 VAL 60 -1.329 -7.668 2.806 413 2HG2 VAL 60 2HG2 VAL 60 -0.939 -7.146 4.449 414 3HG2 VAL 60 3HG2 VAL 60 -0.191 -6.342 3.067 415 H LEU 61 H LEU 61 -3.531 -3.104 1.342 416 HA LEU 61 HA LEU 61 -1.058 -1.646 0.937 417 2HB LEU 61 2HB LEU 61 -3.862 -0.563 0.714 418 HG LEU 61 HG LEU 61 -2.832 0.680 -1.264 419 1HD1 LEU 61 1HD1 LEU 61 -1.980 2.479 0.151 420 2HD1 LEU 61 2HD1 LEU 61 -1.941 1.374 1.528 421 3HD1 LEU 61 3HD1 LEU 61 -3.482 1.803 0.784 422 1HD2 LEU 61 1HD2 LEU 61 -0.431 1.088 -1.150 423 2HD2 LEU 61 2HD2 LEU 61 -0.759 -0.628 -1.395 424 3HD2 LEU 61 3HD2 LEU 61 -0.290 -0.039 0.199 425 H PHE 62 H PHE 62 -0.079 -1.012 2.681 426 HA PHE 62 HA PHE 62 -1.566 -0.283 5.077 427 2HB PHE 62 2HB PHE 62 1.367 -0.784 4.540 428 HD1 PHE 62 1HD PHE 62 2.633 0.787 5.688 429 HD2 PHE 62 2HD PHE 62 -0.719 -1.005 7.604 430 HE1 PHE 62 1HE PHE 62 3.311 1.812 7.813 431 HE2 PHE 62 2HE PHE 62 -0.049 0.022 9.739 432 HZ PHE 62 HZ PHE 62 1.970 1.431 9.846 433 H ALA 63 H ALA 63 -1.834 1.722 5.744 434 HA ALA 63 HA ALA 63 -0.803 3.922 4.166 435 1HB ALA 63 1HB ALA 63 -2.602 3.943 6.586 436 2HB ALA 63 2HB ALA 63 -3.142 3.925 4.907 437 3HB ALA 63 3HB ALA 63 -2.255 5.316 5.537 438 H VAL 64 H VAL 64 1.258 4.482 4.563 439 HA VAL 64 HA VAL 64 2.422 4.177 7.185 440 HB VAL 64 HB VAL 64 3.651 5.527 4.777 441 1HG1 VAL 64 1HG1 VAL 64 4.913 4.287 7.224 442 2HG1 VAL 64 2HG1 VAL 64 4.769 6.014 6.898 443 3HG1 VAL 64 3HG1 VAL 64 5.774 5.002 5.862 444 1HG2 VAL 64 1HG2 VAL 64 3.784 2.642 5.636 445 2HG2 VAL 64 2HG2 VAL 64 4.734 3.371 4.342 446 3HG2 VAL 64 3HG2 VAL 64 2.978 3.270 4.196 447 H ASN 65 H ASN 65 1.097 5.527 8.376 448 HA ASN 65 HA ASN 65 2.119 8.035 9.003 449 2HB ASN 65 2HB ASN 65 -0.480 8.862 8.127 450 1HD2 ASN 65 1HD2 ASN 65 2.114 9.752 9.323 451 2HD2 ASN 65 2HD2 ASN 65 2.558 11.142 8.397 452 H GLU 66 H GLU 66 -1.003 6.420 8.653 453 HA GLU 66 HA GLU 66 -1.739 7.211 11.370 454 2HB GLU 66 2HB GLU 66 -3.474 5.825 9.329 455 2HG GLU 66 2HG GLU 66 -4.277 6.077 11.720 456 H ASP 67 H ASP 67 -0.473 4.581 9.703 457 HA ASP 67 HA ASP 67 -0.101 2.395 10.150 458 2HB ASP 67 2HB ASP 67 -0.913 3.044 12.997 459 H LYS 68 H LYS 68 -1.905 1.974 8.783 460 HA LYS 68 HA LYS 68 -3.820 0.222 9.905 461 2HB LYS 68 2HB LYS 68 -4.933 2.277 10.624 462 2HG LYS 68 2HG LYS 68 -4.967 3.059 7.714 463 2HD LYS 68 2HD LYS 68 -5.874 5.223 8.954 464 2HE LYS 68 2HE LYS 68 -7.070 4.072 7.154 465 1HZ LYS 68 1HZ LYS 68 -7.868 2.207 9.310 466 2HZ LYS 68 2HZ LYS 68 -7.224 1.844 7.781 467 3HZ LYS 68 3HZ LYS 68 -8.812 2.416 7.916 468 H GLU 69 H GLU 69 -5.284 -0.648 8.240 469 HA GLU 69 HA GLU 69 -4.055 -0.674 5.617 470 2HB GLU 69 2HB GLU 69 -5.830 -2.321 5.086 471 2HG GLU 69 2HG GLU 69 -4.269 -2.792 7.598 472 H LEU 70 H LEU 70 -4.871 0.223 3.771 473 HA LEU 70 HA LEU 70 -7.307 1.848 4.025 474 2HB LEU 70 2HB LEU 70 -6.673 2.765 1.815 475 HG LEU 70 HG LEU 70 -4.313 2.936 3.682 476 1HD1 LEU 70 1HD1 LEU 70 -5.363 4.698 1.474 477 2HD1 LEU 70 2HD1 LEU 70 -3.830 3.820 1.513 478 3HD1 LEU 70 3HD1 LEU 70 -4.099 5.172 2.614 479 1HD2 LEU 70 1HD2 LEU 70 -6.396 3.442 4.874 480 2HD2 LEU 70 2HD2 LEU 70 -6.825 4.608 3.622 481 3HD2 LEU 70 3HD2 LEU 70 -5.414 4.887 4.642 482 H CYS 71 H CYS 71 -5.924 -0.896 2.420 483 HA CYS 71 HA CYS 71 -8.400 -2.087 1.823 484 2HB CYS 71 2HB CYS 71 -6.904 -0.955 -0.560 485 HG CYS 71 HG CYS 71 -10.037 -2.115 -0.950 486 H HIS 72 H HIS 72 -8.102 -4.223 1.051 487 HA HIS 72 HA HIS 72 -5.360 -5.008 0.425 488 2HB HIS 72 2HB HIS 72 -5.456 -5.700 2.677 489 HD1 HIS 72 1HD HIS 72 -6.941 -5.474 4.616 490 HD2 HIS 72 2HD HIS 72 -8.729 -7.668 1.558 491 HE1 HIS 72 1HE HIS 72 -9.193 -6.167 5.496 492 H TYR 73 H TYR 73 -5.177 -6.334 -1.224 493 HA TYR 73 HA TYR 73 -5.699 -7.326 -3.178 494 2HB TYR 73 2HB TYR 73 -7.810 -8.654 -3.369 495 HD1 TYR 73 1HD TYR 73 -5.860 -10.122 -3.758 496 HD2 TYR 73 2HD TYR 73 -7.176 -9.167 0.176 497 HE1 TYR 73 1HE TYR 73 -4.568 -12.011 -2.877 498 HE2 TYR 73 2HE TYR 73 -5.880 -11.060 1.069 499 HH TYR 73 HH TYR 73 -5.005 -13.315 0.111 500 H PHE 74 H PHE 74 -6.114 -6.332 -4.896 501 HA PHE 74 HA PHE 74 -6.900 -4.902 -6.449 502 2HB PHE 74 2HB PHE 74 -9.311 -4.444 -6.544 503 HD1 PHE 74 1HD PHE 74 -8.488 -5.988 -8.369 504 HD2 PHE 74 2HD PHE 74 -9.816 -7.399 -4.580 505 HE1 PHE 74 1HE PHE 74 -8.791 -8.239 -9.320 506 HE2 PHE 74 2HE PHE 74 -10.123 -9.651 -5.520 507 HZ PHE 74 HZ PHE 74 -9.607 -10.075 -7.891 508 H LEU 75 H LEU 75 -8.785 -2.705 -6.031 509 HA LEU 75 HA LEU 75 -7.229 -1.135 -4.115 510 2HB LEU 75 2HB LEU 75 -7.779 -0.088 -6.870 511 HG LEU 75 HG LEU 75 -7.020 1.512 -5.099 512 1HD1 LEU 75 1HD1 LEU 75 -5.586 -0.103 -3.893 513 2HD1 LEU 75 2HD1 LEU 75 -4.749 1.394 -4.308 514 3HD1 LEU 75 3HD1 LEU 75 -4.459 -0.068 -5.252 515 1HD2 LEU 75 1HD2 LEU 75 -6.632 1.938 -7.470 516 2HD2 LEU 75 2HD2 LEU 75 -5.124 1.028 -7.391 517 3HD2 LEU 75 3HD2 LEU 75 -5.293 2.532 -6.488 518 H ASP 76 H ASP 76 -8.665 -0.274 -2.766 519 HA ASP 76 HA ASP 76 -11.234 0.666 -3.739 520 2HB ASP 76 2HB ASP 76 -11.370 1.585 -1.308 521 H SER 77 H SER 77 -10.618 2.233 -5.205 522 HA SER 77 HA SER 77 -8.805 4.307 -4.769 523 2HB SER 77 2HB SER 77 -9.798 5.354 -6.699 524 HG SER 77 HG SER 77 -9.992 3.502 -8.096 525 H ASP 78 H ASP 78 -12.165 3.960 -3.895 526 HA ASP 78 HA ASP 78 -12.795 6.596 -3.237 527 2HB ASP 78 2HB ASP 78 -13.760 4.023 -1.975 528 H VAL 79 H VAL 79 -11.262 4.061 -1.311 529 HA VAL 79 HA VAL 79 -11.249 5.622 1.084 530 HB VAL 79 HB VAL 79 -9.836 3.043 0.402 531 1HG1 VAL 79 1HG1 VAL 79 -10.094 4.420 3.079 532 2HG1 VAL 79 2HG1 VAL 79 -8.606 4.240 2.150 533 3HG1 VAL 79 3HG1 VAL 79 -9.414 2.815 2.800 534 1HG2 VAL 79 1HG2 VAL 79 -12.316 3.702 1.976 535 2HG2 VAL 79 2HG2 VAL 79 -11.564 2.105 1.925 536 3HG2 VAL 79 3HG2 VAL 79 -12.225 2.816 0.451 537 H ILE 80 H ILE 80 -8.734 4.707 -1.290 538 HA ILE 80 HA ILE 80 -6.698 6.116 0.115 539 HB ILE 80 HB ILE 80 -6.094 4.339 -1.460 540 2HG1 ILE 80 2HG1 ILE 80 -5.051 7.056 -2.282 541 1HG2 ILE 80 1HG2 ILE 80 -6.228 4.648 -3.841 542 2HG2 ILE 80 2HG2 ILE 80 -6.960 6.238 -3.617 543 3HG2 ILE 80 3HG2 ILE 80 -7.838 4.785 -3.129 544 1HD1 ILE 80 1HD1 ILE 80 -3.227 6.610 -0.747 545 2HD1 ILE 80 2HD1 ILE 80 -4.023 5.120 -0.234 546 3HD1 ILE 80 3HD1 ILE 80 -4.778 6.681 0.090 547 H GLY 81 H GLY 81 -9.034 7.019 -2.346 548 1HA GLY 81 1HA GLY 81 -7.951 9.554 -2.972 549 2HA GLY 81 2HA GLY 81 -9.636 9.086 -3.140 550 H ALA 82 H ALA 82 -9.869 8.388 -0.317 551 HA ALA 82 HA ALA 82 -10.448 11.001 0.742 552 1HB ALA 82 1HB ALA 82 -12.008 9.178 1.124 553 2HB ALA 82 2HB ALA 82 -11.348 9.733 2.663 554 3HB ALA 82 3HB ALA 82 -10.751 8.241 1.934 555 H TYR 83 H TYR 83 -7.951 8.631 1.016 556 HA TYR 83 HA TYR 83 -6.884 9.701 3.487 557 2HB TYR 83 2HB TYR 83 -5.967 7.482 1.649 558 HD1 TYR 83 1HD TYR 83 -3.590 7.946 1.518 559 HD2 TYR 83 2HD TYR 83 -5.552 7.703 5.293 560 HE1 TYR 83 1HE TYR 83 -1.409 7.806 2.636 561 HE2 TYR 83 2HE TYR 83 -3.370 7.565 6.418 562 HH TYR 83 HH TYR 83 -0.441 8.239 4.837 563 H LEU 84 H LEU 84 -5.805 9.431 0.103 564 HA LEU 84 HA LEU 84 -3.235 10.483 0.630 565 2HB LEU 84 2HB LEU 84 -4.071 10.828 -2.116 566 HG LEU 84 HG LEU 84 -2.421 8.935 -2.498 567 1HD1 LEU 84 1HD1 LEU 84 -1.819 11.300 -2.739 568 2HD1 LEU 84 2HD1 LEU 84 -0.481 10.360 -2.075 569 3HD1 LEU 84 3HD1 LEU 84 -1.452 11.380 -1.016 570 1HD2 LEU 84 1HD2 LEU 84 -1.828 9.387 0.422 571 2HD2 LEU 84 2HD2 LEU 84 -0.959 8.326 -0.685 572 3HD2 LEU 84 3HD2 LEU 84 -2.623 7.959 -0.237 573 H SER 85 H SER 85 -6.269 11.985 -0.136 574 HA SER 85 HA SER 85 -4.995 14.550 -0.619 575 2HB SER 85 2HB SER 85 -7.274 15.363 -1.023 576 HG SER 85 HG SER 85 -6.072 13.463 -2.402 Start of MODEL 6 1 HA MET 1 HA MET 1 0.208 32.336 0.771 2 2HB MET 1 2HB MET 1 -1.699 31.536 2.988 3 2HG MET 1 2HG MET 1 -1.227 33.933 3.714 4 1HE MET 1 1HE MET 1 1.750 34.468 4.666 5 2HE MET 1 2HE MET 1 1.795 33.558 6.180 6 3HE MET 1 3HE MET 1 0.377 34.521 5.769 7 H ASN 2 H ASN 2 -0.939 29.681 2.879 8 HA ASN 2 HA ASN 2 1.822 28.652 2.922 9 2HB ASN 2 2HB ASN 2 0.830 27.744 5.293 10 1HD2 ASN 2 1HD2 ASN 2 2.098 28.339 7.004 11 2HD2 ASN 2 2HD2 ASN 2 3.425 29.443 6.859 12 H ASN 3 H ASN 3 1.667 26.958 1.584 13 HA ASN 3 HA ASN 3 -0.694 25.256 1.648 14 2HB ASN 3 2HB ASN 3 1.779 25.055 -0.090 15 1HD2 ASN 3 1HD2 ASN 3 1.560 23.720 -1.901 16 2HD2 ASN 3 2HD2 ASN 3 0.397 22.435 -1.960 17 H GLN 4 H GLN 4 -0.720 23.945 3.363 18 HA GLN 4 HA GLN 4 1.704 22.692 4.316 19 2HB GLN 4 2HB GLN 4 -1.159 22.404 5.248 20 2HG GLN 4 2HG GLN 4 0.194 20.476 5.910 21 1HE2 GLN 4 1HE2 GLN 4 2.337 20.368 5.310 22 2HE2 GLN 4 2HE2 GLN 4 3.623 20.962 6.310 23 H VAL 5 H VAL 5 2.411 21.193 2.925 24 HA VAL 5 HA VAL 5 0.639 18.882 2.477 25 HB VAL 5 HB VAL 5 1.844 18.490 0.318 26 1HG1 VAL 5 1HG1 VAL 5 0.589 20.170 -0.956 27 2HG1 VAL 5 2HG1 VAL 5 0.299 21.066 0.535 28 3HG1 VAL 5 3HG1 VAL 5 -0.383 19.453 0.330 29 1HG2 VAL 5 1HG2 VAL 5 3.060 20.331 -0.705 30 2HG2 VAL 5 2HG2 VAL 5 3.814 19.858 0.821 31 3HG2 VAL 5 3HG2 VAL 5 2.816 21.310 0.743 32 H GLU 6 H GLU 6 1.574 16.912 2.741 33 HA GLU 6 HA GLU 6 4.412 16.803 3.432 34 2HB GLU 6 2HB GLU 6 3.952 15.604 5.501 35 2HG GLU 6 2HG GLU 6 2.289 18.113 5.399 36 HA PRO 7 HA PRO 7 3.990 13.100 1.091 37 2HB PRO 7 2HB PRO 7 6.224 13.428 0.614 38 2HG PRO 7 2HG PRO 7 7.684 14.219 2.218 39 2HD PRO 7 2HD PRO 7 6.092 15.795 2.693 40 H ARG 8 H ARG 8 2.773 11.429 1.593 41 HA ARG 8 HA ARG 8 3.233 10.088 4.157 42 2HB ARG 8 2HB ARG 8 1.050 10.941 4.230 43 2HG ARG 8 2HG ARG 8 0.450 9.762 1.527 44 2HD ARG 8 2HD ARG 8 -1.228 10.370 3.616 45 HE ARG 8 HE ARG 8 -1.721 12.585 1.769 46 1HH1 ARG 8 1HH1 ARG 8 -0.770 11.531 4.968 47 2HH1 ARG 8 2HH1 ARG 8 -1.194 13.029 5.736 48 1HH2 ARG 8 1HH2 ARG 8 -2.334 14.544 2.759 49 2HH2 ARG 8 2HH2 ARG 8 -2.088 14.744 4.478 50 H LYS 9 H LYS 9 4.431 8.391 3.892 51 HA LYS 9 HA LYS 9 4.845 7.123 1.373 52 2HB LYS 9 2HB LYS 9 5.728 6.009 4.008 53 2HG LYS 9 2HG LYS 9 7.951 5.889 2.821 54 2HD LYS 9 2HD LYS 9 5.771 4.227 1.573 55 2HE LYS 9 2HE LYS 9 8.084 3.971 0.710 56 1HZ LYS 9 1HZ LYS 9 9.644 2.773 2.234 57 2HZ LYS 9 2HZ LYS 9 8.640 3.215 3.525 58 3HZ LYS 9 3HZ LYS 9 9.409 4.414 2.602 59 H LEU 10 H LEU 10 4.235 5.026 0.722 60 HA LEU 10 HA LEU 10 2.300 3.657 2.472 61 2HB LEU 10 2HB LEU 10 1.159 2.899 0.411 62 HG LEU 10 HG LEU 10 1.348 5.905 0.575 63 1HD1 LEU 10 1HD1 LEU 10 0.412 5.139 -1.538 64 2HD1 LEU 10 2HD1 LEU 10 -0.818 5.889 -0.524 65 3HD1 LEU 10 3HD1 LEU 10 -0.744 4.135 -0.667 66 1HD2 LEU 10 1HD2 LEU 10 -0.699 5.705 1.920 67 2HD2 LEU 10 2HD2 LEU 10 0.681 4.922 2.690 68 3HD2 LEU 10 3HD2 LEU 10 -0.542 3.948 1.875 69 H VAL 11 H VAL 11 2.552 1.531 2.784 70 HA VAL 11 HA VAL 11 4.677 0.159 1.260 71 HB VAL 11 HB VAL 11 3.777 -0.222 4.118 72 1HG1 VAL 11 1HG1 VAL 11 5.238 -2.178 4.240 73 2HG1 VAL 11 2HG1 VAL 11 5.588 -2.036 2.517 74 3HG1 VAL 11 3HG1 VAL 11 3.955 -2.429 3.054 75 1HG2 VAL 11 1HG2 VAL 11 6.132 0.128 4.629 76 2HG2 VAL 11 2HG2 VAL 11 5.482 1.487 3.710 77 3HG2 VAL 11 3HG2 VAL 11 6.494 0.285 2.909 78 H VAL 12 H VAL 12 4.142 -1.660 0.188 79 HA VAL 12 HA VAL 12 1.434 -2.722 0.610 80 HB VAL 12 HB VAL 12 3.261 -3.033 -1.777 81 1HG1 VAL 12 1HG1 VAL 12 0.469 -4.084 -1.335 82 2HG1 VAL 12 2HG1 VAL 12 1.940 -5.050 -1.433 83 3HG1 VAL 12 3HG1 VAL 12 1.368 -4.172 -2.853 84 1HG2 VAL 12 1HG2 VAL 12 1.575 -1.728 -2.971 85 2HG2 VAL 12 2HG2 VAL 12 2.285 -0.818 -1.637 86 3HG2 VAL 12 3HG2 VAL 12 0.679 -1.524 -1.465 87 H TYR 13 H TYR 13 1.568 -4.295 2.097 88 HA TYR 13 HA TYR 13 3.810 -6.100 2.237 89 2HB TYR 13 2HB TYR 13 2.344 -7.358 3.855 90 HD1 TYR 13 1HD TYR 13 4.537 -6.586 4.865 91 HD2 TYR 13 2HD TYR 13 1.050 -4.143 4.764 92 HE1 TYR 13 1HE TYR 13 5.444 -5.225 6.697 93 HE2 TYR 13 2HE TYR 13 1.959 -2.770 6.591 94 HH TYR 13 HH TYR 13 5.225 -3.170 7.747 95 H GLY 14 H GLY 14 4.076 -7.861 0.984 96 1HA GLY 14 1HA GLY 14 1.750 -9.319 0.068 97 2HA GLY 14 2HA GLY 14 2.632 -8.486 -1.203 98 H ARG 15 H ARG 15 2.722 -10.768 -1.919 99 HA ARG 15 HA ARG 15 5.344 -11.792 -1.331 100 2HB ARG 15 2HB ARG 15 4.220 -13.085 0.324 101 2HG ARG 15 2HG ARG 15 2.091 -13.607 -1.738 102 2HD ARG 15 2HD ARG 15 1.013 -14.913 0.117 103 HE ARG 15 HE ARG 15 3.385 -15.958 -1.252 104 1HH1 ARG 15 1HH1 ARG 15 0.349 -16.570 0.394 105 2HH1 ARG 15 2HH1 ARG 15 0.179 -18.180 -0.231 106 1HH2 ARG 15 1HH2 ARG 15 3.148 -18.077 -2.098 107 2HH2 ARG 15 2HH2 ARG 15 1.753 -19.025 -1.675 108 H GLU 16 H GLU 16 6.157 -12.970 -3.055 109 HA GLU 16 HA GLU 16 4.846 -12.487 -5.558 110 2HB GLU 16 2HB GLU 16 6.871 -13.636 -6.499 111 2HG GLU 16 2HG GLU 16 7.209 -11.376 -4.563 112 H GLY 17 H GLY 17 2.955 -13.676 -5.419 113 1HA GLY 17 1HA GLY 17 3.071 -16.288 -6.495 114 2HA GLY 17 2HA GLY 17 2.684 -16.369 -4.780 115 H CYS 18 H CYS 18 1.753 -13.741 -6.879 116 HA CYS 18 HA CYS 18 -0.830 -14.637 -7.536 117 2HB CYS 18 2HB CYS 18 -1.450 -14.411 -5.255 118 HG CYS 18 HG CYS 18 -0.507 -12.975 -3.360 119 H HIS 19 H HIS 19 -1.782 -13.281 -9.007 120 HA HIS 19 HA HIS 19 0.046 -11.535 -10.319 121 2HB HIS 19 2HB HIS 19 -2.892 -11.849 -10.930 122 HD1 HIS 19 1HD HIS 19 -3.206 -9.874 -12.428 123 HD2 HIS 19 2HD HIS 19 0.254 -12.019 -13.291 124 HE1 HIS 19 1HE HIS 19 -2.329 -8.920 -14.588 125 H LEU 20 H LEU 20 -2.604 -10.999 -8.124 126 HA LEU 20 HA LEU 20 -3.370 -8.428 -8.845 127 2HB LEU 20 2HB LEU 20 -4.082 -8.189 -6.424 128 HG LEU 20 HG LEU 20 -5.025 -10.775 -7.657 129 1HD1 LEU 20 1HD1 LEU 20 -6.432 -8.754 -5.916 130 2HD1 LEU 20 2HD1 LEU 20 -5.787 -10.305 -5.373 131 3HD1 LEU 20 3HD1 LEU 20 -7.110 -10.259 -6.539 132 1HD2 LEU 20 1HD2 LEU 20 -5.930 -7.962 -8.267 133 2HD2 LEU 20 2HD2 LEU 20 -6.698 -9.442 -8.844 134 3HD2 LEU 20 3HD2 LEU 20 -5.062 -9.037 -9.364 135 H CYS 21 H CYS 21 -0.575 -9.431 -6.993 136 HA CYS 21 HA CYS 21 0.122 -7.050 -5.754 137 2HB CYS 21 2HB CYS 21 2.458 -7.858 -5.870 138 HG CYS 21 HG CYS 21 1.005 -10.811 -5.302 139 H GLU 22 H GLU 22 0.995 -8.169 -9.015 140 HA GLU 22 HA GLU 22 2.484 -5.882 -9.738 141 2HB GLU 22 2HB GLU 22 2.139 -6.728 -12.077 142 2HG GLU 22 2HG GLU 22 3.128 -9.021 -11.704 143 H GLU 23 H GLU 23 -0.903 -6.701 -9.955 144 HA GLU 23 HA GLU 23 -1.656 -4.632 -11.741 145 2HB GLU 23 2HB GLU 23 -3.960 -5.187 -11.024 146 2HG GLU 23 2HG GLU 23 -2.216 -7.600 -11.457 147 H MET 24 H MET 24 -1.747 -4.917 -8.198 148 HA MET 24 HA MET 24 -2.912 -2.371 -7.775 149 2HB MET 24 2HB MET 24 -1.829 -2.578 -5.447 150 2HG MET 24 2HG MET 24 -3.553 -4.921 -6.172 151 1HE MET 24 1HE MET 24 -3.706 -2.367 -2.315 152 2HE MET 24 2HE MET 24 -4.388 -1.870 -3.866 153 3HE MET 24 3HE MET 24 -2.640 -1.967 -3.663 154 H ILE 25 H ILE 25 0.456 -3.418 -8.034 155 HA ILE 25 HA ILE 25 1.690 -1.005 -7.352 156 HB ILE 25 HB ILE 25 2.567 -3.051 -9.396 157 2HG1 ILE 25 2HG1 ILE 25 2.348 -3.888 -7.073 158 1HG2 ILE 25 1HG2 ILE 25 3.644 -0.909 -9.836 159 2HG2 ILE 25 2HG2 ILE 25 4.805 -2.062 -9.177 160 3HG2 ILE 25 3HG2 ILE 25 4.141 -0.795 -8.146 161 1HD1 ILE 25 1HD1 ILE 25 4.148 -4.830 -8.427 162 2HD1 ILE 25 2HD1 ILE 25 4.592 -4.734 -6.723 163 3HD1 ILE 25 3HD1 ILE 25 5.229 -3.554 -7.869 164 H ALA 26 H ALA 26 0.693 -2.163 -10.575 165 HA ALA 26 HA ALA 26 1.315 0.163 -11.998 166 1HB ALA 26 1HB ALA 26 0.789 -1.979 -13.069 167 2HB ALA 26 2HB ALA 26 -0.199 -0.669 -13.715 168 3HB ALA 26 3HB ALA 26 -0.894 -1.813 -12.568 169 H SER 27 H SER 27 -1.651 -0.780 -10.328 170 HA SER 27 HA SER 27 -3.274 1.371 -11.062 171 2HB SER 27 2HB SER 27 -4.564 0.817 -9.002 172 HG SER 27 HG SER 27 -3.628 -1.488 -10.389 173 H LEU 28 H LEU 28 -1.002 1.018 -8.363 174 HA LEU 28 HA LEU 28 -1.610 3.505 -7.146 175 2HB LEU 28 2HB LEU 28 0.591 3.179 -5.983 176 HG LEU 28 HG LEU 28 -1.211 0.758 -5.945 177 1HD1 LEU 28 1HD1 LEU 28 0.856 1.707 -3.967 178 2HD1 LEU 28 2HD1 LEU 28 0.970 0.272 -4.987 179 3HD1 LEU 28 3HD1 LEU 28 -0.260 0.363 -3.726 180 1HD2 LEU 28 1HD2 LEU 28 -2.216 1.833 -3.990 181 2HD2 LEU 28 2HD2 LEU 28 -2.396 2.828 -5.435 182 3HD2 LEU 28 3HD2 LEU 28 -1.178 3.238 -4.228 183 H ARG 29 H ARG 29 0.834 2.486 -9.489 184 HA ARG 29 HA ARG 29 2.400 4.808 -9.415 185 2HB ARG 29 2HB ARG 29 3.291 4.059 -11.590 186 2HG ARG 29 2HG ARG 29 3.115 1.457 -10.353 187 2HD ARG 29 2HD ARG 29 5.534 2.023 -9.865 188 HE ARG 29 HE ARG 29 4.412 1.718 -12.503 189 1HH1 ARG 29 1HH1 ARG 29 7.380 2.102 -10.683 190 2HH1 ARG 29 2HH1 ARG 29 8.339 1.209 -11.826 191 1HH2 ARG 29 1HH2 ARG 29 5.696 0.586 -14.039 192 2HH2 ARG 29 2HH2 ARG 29 7.392 0.361 -13.719 193 H VAL 30 H VAL 30 -0.603 4.153 -11.053 194 HA VAL 30 HA VAL 30 -0.517 6.346 -12.857 195 HB VAL 30 HB VAL 30 -2.915 4.929 -11.670 196 1HG1 VAL 30 1HG1 VAL 30 -3.555 7.130 -12.490 197 2HG1 VAL 30 2HG1 VAL 30 -4.178 5.871 -13.557 198 3HG1 VAL 30 3HG1 VAL 30 -2.760 6.809 -14.030 199 1HG2 VAL 30 1HG2 VAL 30 -2.971 3.758 -13.829 200 2HG2 VAL 30 2HG2 VAL 30 -1.473 3.456 -12.951 201 3HG2 VAL 30 3HG2 VAL 30 -1.486 4.585 -14.307 202 H LEU 31 H LEU 31 -1.840 5.985 -9.578 203 HA LEU 31 HA LEU 31 -2.675 8.734 -9.409 204 2HB LEU 31 2HB LEU 31 -2.241 7.289 -6.891 205 HG LEU 31 HG LEU 31 -4.805 8.334 -8.098 206 1HD1 LEU 31 1HD1 LEU 31 -4.123 7.514 -5.284 207 2HD1 LEU 31 2HD1 LEU 31 -5.138 6.614 -6.411 208 3HD1 LEU 31 3HD1 LEU 31 -5.657 8.197 -5.827 209 1HD2 LEU 31 1HD2 LEU 31 -3.247 10.154 -7.786 210 2HD2 LEU 31 2HD2 LEU 31 -2.903 9.615 -6.141 211 3HD2 LEU 31 3HD2 LEU 31 -4.507 10.229 -6.554 212 H GLN 32 H GLN 32 0.164 6.898 -8.748 213 HA GLN 32 HA GLN 32 1.535 8.557 -6.959 214 2HB GLN 32 2HB GLN 32 2.851 6.974 -9.158 215 2HG GLN 32 2HG GLN 32 3.609 7.207 -6.260 216 1HE2 GLN 32 1HE2 GLN 32 5.571 6.247 -5.768 217 2HE2 GLN 32 2HE2 GLN 32 6.332 5.089 -6.806 218 H LYS 33 H LYS 33 0.804 8.921 -10.294 219 HA LYS 33 HA LYS 33 2.869 10.743 -10.995 220 2HB LYS 33 2HB LYS 33 1.486 11.231 -12.951 221 2HG LYS 33 2HG LYS 33 1.302 8.284 -12.410 222 2HD LYS 33 2HD LYS 33 1.811 8.147 -14.801 223 2HE LYS 33 2HE LYS 33 -0.533 9.900 -14.072 224 1HZ LYS 33 1HZ LYS 33 -0.021 8.423 -16.602 225 2HZ LYS 33 2HZ LYS 33 -0.109 10.106 -16.425 226 3HZ LYS 33 3HZ LYS 33 -1.492 9.156 -16.174 227 H LYS 34 H LYS 34 0.044 11.056 -9.113 228 HA LYS 34 HA LYS 34 0.019 13.972 -9.498 229 2HB LYS 34 2HB LYS 34 -2.209 13.877 -8.317 230 2HG LYS 34 2HG LYS 34 -1.889 13.815 -10.880 231 2HD LYS 34 2HD LYS 34 -3.036 11.065 -10.418 232 2HE LYS 34 2HE LYS 34 -3.010 10.862 -12.809 233 1HZ LYS 34 1HZ LYS 34 -4.613 12.532 -13.442 234 2HZ LYS 34 2HZ LYS 34 -4.217 13.487 -12.099 235 3HZ LYS 34 3HZ LYS 34 -4.961 11.981 -11.876 236 H SER 35 H SER 35 0.208 11.415 -7.089 237 HA SER 35 HA SER 35 0.894 13.464 -5.088 238 2HB SER 35 2HB SER 35 -0.335 12.230 -3.396 239 HG SER 35 HG SER 35 -1.602 13.018 -5.739 240 H TRP 36 H TRP 36 2.672 13.080 -3.891 241 HA TRP 36 HA TRP 36 4.254 10.743 -4.495 242 2HB TRP 36 2HB TRP 36 4.859 12.976 -2.550 243 HD1 TRP 36 HD TRP 36 6.452 11.617 -0.927 244 HE1 TRP 36 1HE TRP 36 8.681 10.386 -1.265 245 HE3 TRP 36 3HE TRP 36 6.519 11.511 -6.026 246 HZ2 TRP 36 2HZ TRP 36 10.256 9.459 -3.436 247 HZ3 TRP 36 3HZ TRP 36 8.415 10.424 -7.168 248 HH2 TRP 36 HH TRP 36 10.243 9.417 -5.895 249 H PHE 37 H PHE 37 3.759 8.922 -3.514 250 HA PHE 37 HA PHE 37 3.504 9.003 -0.595 251 2HB PHE 37 2HB PHE 37 1.261 8.652 -1.306 252 HD1 PHE 37 1HD PHE 37 0.644 9.020 -3.576 253 HD2 PHE 37 2HD PHE 37 2.372 5.320 -2.385 254 HE1 PHE 37 1HE PHE 37 -0.044 8.013 -5.708 255 HE2 PHE 37 2HE PHE 37 1.690 4.309 -4.514 256 HZ PHE 37 HZ PHE 37 0.471 5.658 -6.179 257 H GLU 38 H GLU 38 5.405 8.162 -2.961 258 HA GLU 38 HA GLU 38 7.067 6.666 -3.301 259 2HB GLU 38 2HB GLU 38 7.843 5.391 -1.214 260 2HG GLU 38 2HG GLU 38 7.787 8.110 -0.251 261 H LEU 39 H LEU 39 7.655 4.200 -2.813 262 HA LEU 39 HA LEU 39 5.289 2.519 -2.649 263 2HB LEU 39 2HB LEU 39 6.933 1.601 -4.850 264 HG LEU 39 HG LEU 39 4.971 1.195 -5.999 265 1HD1 LEU 39 1HD1 LEU 39 4.996 -0.080 -3.936 266 2HD1 LEU 39 2HD1 LEU 39 3.343 0.316 -4.409 267 3HD1 LEU 39 3HD1 LEU 39 4.127 1.214 -3.108 268 1HD2 LEU 39 1HD2 LEU 39 2.857 2.391 -5.625 269 2HD2 LEU 39 2HD2 LEU 39 4.162 3.471 -6.119 270 3HD2 LEU 39 3HD2 LEU 39 3.659 3.408 -4.428 271 H GLU 40 H GLU 40 5.789 0.963 -1.253 272 HA GLU 40 HA GLU 40 8.482 -0.211 -1.398 273 2HB GLU 40 2HB GLU 40 6.966 0.281 1.165 274 2HG GLU 40 2HG GLU 40 9.744 -0.691 0.601 275 H VAL 41 H VAL 41 8.306 -2.258 -1.934 276 HA VAL 41 HA VAL 41 5.860 -3.723 -1.215 277 HB VAL 41 HB VAL 41 7.966 -4.462 -3.262 278 1HG1 VAL 41 1HG1 VAL 41 5.262 -5.682 -2.708 279 2HG1 VAL 41 2HG1 VAL 41 6.821 -6.404 -2.311 280 3HG1 VAL 41 3HG1 VAL 41 6.369 -6.155 -3.997 281 1HG2 VAL 41 1HG2 VAL 41 6.294 -3.861 -4.939 282 2HG2 VAL 41 2HG2 VAL 41 6.712 -2.477 -3.928 283 3HG2 VAL 41 3HG2 VAL 41 5.197 -3.339 -3.661 284 H ILE 42 H ILE 42 6.025 -4.952 0.533 285 HA ILE 42 HA ILE 42 8.693 -5.977 1.241 286 HB ILE 42 HB ILE 42 6.400 -5.283 3.078 287 2HG1 ILE 42 2HG1 ILE 42 7.574 -3.334 2.157 288 1HG2 ILE 42 1HG2 ILE 42 7.621 -7.217 3.919 289 2HG2 ILE 42 2HG2 ILE 42 7.965 -5.794 4.903 290 3HG2 ILE 42 3HG2 ILE 42 9.148 -6.355 3.722 291 1HD1 ILE 42 1HD1 ILE 42 8.335 -2.243 4.144 292 2HD1 ILE 42 2HD1 ILE 42 8.513 -3.790 4.975 293 3HD1 ILE 42 3HD1 ILE 42 6.910 -3.208 4.527 294 H ASN 43 H ASN 43 8.926 -8.044 0.937 295 HA ASN 43 HA ASN 43 6.761 -9.845 0.517 296 2HB ASN 43 2HB ASN 43 8.536 -11.590 0.460 297 1HD2 ASN 43 1HD2 ASN 43 7.854 -11.651 -1.638 298 2HD2 ASN 43 2HD2 ASN 43 8.560 -10.686 -2.891 299 H ILE 44 H ILE 44 5.466 -10.324 2.196 300 HA ILE 44 HA ILE 44 6.463 -10.670 4.872 301 HB ILE 44 HB ILE 44 4.233 -11.307 5.502 302 2HG1 ILE 44 2HG1 ILE 44 3.851 -12.803 3.503 303 1HG2 ILE 44 1HG2 ILE 44 4.594 -8.940 5.124 304 2HG2 ILE 44 2HG2 ILE 44 2.946 -9.384 4.683 305 3HG2 ILE 44 3HG2 ILE 44 4.155 -9.123 3.426 306 1HD1 ILE 44 1HD1 ILE 44 1.453 -12.447 3.323 307 2HD1 ILE 44 2HD1 ILE 44 1.625 -10.864 4.080 308 3HD1 ILE 44 3HD1 ILE 44 1.991 -12.323 4.999 309 H ASP 45 H ASP 45 6.442 -12.483 2.113 310 HA ASP 45 HA ASP 45 5.936 -15.089 2.669 311 2HB ASP 45 2HB ASP 45 8.206 -13.925 1.044 312 H GLY 46 H GLY 46 8.829 -13.292 3.611 313 1HA GLY 46 1HA GLY 46 10.003 -15.749 4.699 314 2HA GLY 46 2HA GLY 46 10.849 -14.230 4.447 315 H ASN 47 H ASN 47 7.737 -14.106 5.951 316 HA ASN 47 HA ASN 47 8.970 -14.002 8.616 317 2HB ASN 47 2HB ASN 47 7.006 -11.924 7.654 318 1HD2 ASN 47 1HD2 ASN 47 9.868 -11.409 9.523 319 2HD2 ASN 47 2HD2 ASN 47 9.076 -11.054 11.020 320 H GLU 48 H GLU 48 7.956 -15.574 9.674 321 HA GLU 48 HA GLU 48 5.442 -16.611 9.065 322 2HB GLU 48 2HB GLU 48 5.562 -17.475 11.503 323 2HG GLU 48 2HG GLU 48 7.386 -19.060 10.984 324 H HIS 49 H HIS 49 6.330 -13.919 11.151 325 HA HIS 49 HA HIS 49 3.853 -13.813 12.549 326 2HB HIS 49 2HB HIS 49 4.529 -11.430 13.059 327 HD1 HIS 49 1HD HIS 49 7.258 -11.165 14.349 328 HD2 HIS 49 2HD HIS 49 5.117 -14.730 14.251 329 HE1 HIS 49 1HE HIS 49 8.141 -12.541 16.264 330 H LEU 50 H LEU 50 5.105 -11.926 9.814 331 HA LEU 50 HA LEU 50 2.684 -10.561 9.309 332 2HB LEU 50 2HB LEU 50 3.700 -10.037 7.108 333 HG LEU 50 HG LEU 50 5.671 -9.743 9.379 334 1HD1 LEU 50 1HD1 LEU 50 5.428 -8.249 6.770 335 2HD1 LEU 50 2HD1 LEU 50 6.704 -9.388 7.201 336 3HD1 LEU 50 3HD1 LEU 50 6.546 -7.867 8.079 337 1HD2 LEU 50 1HD2 LEU 50 4.679 -7.530 9.669 338 2HD2 LEU 50 2HD2 LEU 50 3.481 -8.800 9.915 339 3HD2 LEU 50 3HD2 LEU 50 3.500 -7.887 8.407 340 H THR 51 H THR 51 4.047 -13.573 8.023 341 HA THR 51 HA THR 51 2.075 -14.062 6.078 342 HB THR 51 HB THR 51 3.680 -16.070 7.677 343 HG1 THR 51 1HG THR 51 5.052 -14.770 6.478 344 1HG2 THR 51 1HG2 THR 51 3.224 -17.616 5.828 345 2HG2 THR 51 2HG2 THR 51 2.188 -16.407 5.069 346 3HG2 THR 51 3HG2 THR 51 1.732 -17.112 6.620 347 H ARG 52 H ARG 52 2.157 -14.868 9.527 348 HA ARG 52 HA ARG 52 -0.293 -16.350 9.410 349 2HB ARG 52 2HB ARG 52 -0.140 -16.197 11.947 350 2HG ARG 52 2HG ARG 52 2.187 -17.295 10.387 351 2HD ARG 52 2HD ARG 52 2.830 -17.093 12.725 352 HE ARG 52 HE ARG 52 1.140 -17.264 14.239 353 1HH1 ARG 52 1HH1 ARG 52 0.855 -19.941 11.989 354 2HH1 ARG 52 2HH1 ARG 52 -0.420 -20.716 12.885 355 1HH2 ARG 52 1HH2 ARG 52 -0.475 -18.301 15.440 356 2HH2 ARG 52 2HH2 ARG 52 -1.180 -19.784 14.854 357 H LEU 53 H LEU 53 0.628 -13.061 10.149 358 HA LEU 53 HA LEU 53 -1.869 -12.132 11.059 359 2HB LEU 53 2HB LEU 53 -0.963 -9.927 9.954 360 HG LEU 53 HG LEU 53 0.430 -11.252 12.281 361 1HD1 LEU 53 1HD1 LEU 53 1.254 -9.001 12.830 362 2HD1 LEU 53 2HD1 LEU 53 0.612 -8.405 11.299 363 3HD1 LEU 53 3HD1 LEU 53 1.914 -9.595 11.305 364 1HD2 LEU 53 1HD2 LEU 53 -0.964 -9.694 13.588 365 2HD2 LEU 53 2HD2 LEU 53 -1.937 -10.811 12.631 366 3HD2 LEU 53 3HD2 LEU 53 -1.726 -9.144 12.096 367 H TYR 54 H TYR 54 -0.450 -12.194 7.800 368 HA TYR 54 HA TYR 54 -3.076 -11.397 6.736 369 2HB TYR 54 2HB TYR 54 -1.943 -10.428 4.856 370 HD1 TYR 54 1HD TYR 54 1.140 -9.750 6.239 371 HD2 TYR 54 2HD TYR 54 -2.982 -8.910 6.875 372 HE1 TYR 54 1HE TYR 54 1.752 -7.727 7.499 373 HE2 TYR 54 2HE TYR 54 -2.381 -6.888 8.134 374 HH TYR 54 HH TYR 54 -0.509 -5.953 9.355 375 H ASN 55 H ASN 55 -0.224 -13.139 5.486 376 HA ASN 55 HA ASN 55 -0.017 -14.653 3.803 377 2HB ASN 55 2HB ASN 55 -2.367 -16.068 5.060 378 1HD2 ASN 55 1HD2 ASN 55 -0.472 -18.267 5.535 379 2HD2 ASN 55 2HD2 ASN 55 -0.244 -19.033 3.996 380 H ASP 56 H ASP 56 -3.529 -15.030 4.128 381 HA ASP 56 HA ASP 56 -3.774 -14.675 1.242 382 2HB ASP 56 2HB ASP 56 -5.895 -15.513 3.229 383 H ARG 57 H ARG 57 -3.671 -12.658 3.732 384 HA ARG 57 HA ARG 57 -5.559 -10.807 2.445 385 2HB ARG 57 2HB ARG 57 -4.616 -9.531 4.720 386 2HG ARG 57 2HG ARG 57 -7.002 -9.732 3.847 387 2HD ARG 57 2HD ARG 57 -7.151 -12.188 3.995 388 HE ARG 57 HE ARG 57 -6.641 -11.734 6.836 389 1HH1 ARG 57 1HH1 ARG 57 -7.602 -13.949 4.301 390 2HH1 ARG 57 2HH1 ARG 57 -7.204 -15.376 5.220 391 1HH2 ARG 57 1HH2 ARG 57 -6.107 -13.589 8.038 392 2HH2 ARG 57 2HH2 ARG 57 -6.341 -15.170 7.352 393 H VAL 58 H VAL 58 -3.288 -11.318 1.042 394 HA VAL 58 HA VAL 58 -1.258 -9.445 1.817 395 HB VAL 58 HB VAL 58 -0.366 -10.177 -0.580 396 1HG1 VAL 58 1HG1 VAL 58 0.881 -11.949 0.565 397 2HG1 VAL 58 2HG1 VAL 58 -0.216 -11.806 1.941 398 3HG1 VAL 58 3HG1 VAL 58 0.813 -10.445 1.481 399 1HG2 VAL 58 1HG2 VAL 58 -2.298 -11.501 -1.176 400 2HG2 VAL 58 2HG2 VAL 58 -2.102 -12.486 0.276 401 3HG2 VAL 58 3HG2 VAL 58 -0.880 -12.532 -0.997 402 HA PRO 59 HA PRO 59 -0.248 -6.809 -1.346 403 2HB PRO 59 2HB PRO 59 -1.183 -6.212 -3.384 404 2HG PRO 59 2HG PRO 59 -0.867 -8.342 -4.079 405 2HD PRO 59 2HD PRO 59 -0.213 -9.406 -2.169 406 H VAL 60 H VAL 60 -0.694 -6.328 0.986 407 HA VAL 60 HA VAL 60 -3.128 -4.806 1.499 408 HB VAL 60 HB VAL 60 -1.464 -4.741 3.786 409 1HG1 VAL 60 1HG1 VAL 60 -3.907 -4.810 3.769 410 2HG1 VAL 60 2HG1 VAL 60 -3.229 -6.072 4.796 411 3HG1 VAL 60 3HG1 VAL 60 -3.857 -6.482 3.200 412 1HG2 VAL 60 1HG2 VAL 60 -0.135 -6.543 2.881 413 2HG2 VAL 60 2HG2 VAL 60 -1.585 -7.493 2.562 414 3HG2 VAL 60 3HG2 VAL 60 -1.111 -7.139 4.224 415 H LEU 61 H LEU 61 -3.118 -2.742 1.056 416 HA LEU 61 HA LEU 61 -0.637 -1.278 0.886 417 2HB LEU 61 2HB LEU 61 -3.426 -0.187 0.550 418 HG LEU 61 HG LEU 61 -2.253 1.158 -1.294 419 1HD1 LEU 61 1HD1 LEU 61 -3.141 2.136 0.753 420 2HD1 LEU 61 2HD1 LEU 61 -1.640 2.918 0.267 421 3HD1 LEU 61 3HD1 LEU 61 -1.637 1.756 1.593 422 1HD2 LEU 61 1HD2 LEU 61 -0.137 -0.117 -1.249 423 2HD2 LEU 61 2HD2 LEU 61 0.161 0.474 0.387 424 3HD2 LEU 61 3HD2 LEU 61 0.106 1.608 -0.962 425 H PHE 62 H PHE 62 0.252 -0.648 2.672 426 HA PHE 62 HA PHE 62 -1.377 0.016 5.013 427 2HB PHE 62 2HB PHE 62 1.500 -0.816 4.631 428 HD1 PHE 62 1HD PHE 62 -0.699 -0.891 7.614 429 HD2 PHE 62 2HD PHE 62 2.874 0.603 5.849 430 HE1 PHE 62 1HE PHE 62 0.010 -0.014 9.798 431 HE2 PHE 62 2HE PHE 62 3.593 1.480 8.032 432 HZ PHE 62 HZ PHE 62 2.157 1.171 10.011 433 H ALA 63 H ALA 63 -1.363 1.983 5.910 434 HA ALA 63 HA ALA 63 -0.173 4.153 4.406 435 1HB ALA 63 1HB ALA 63 -2.489 4.299 5.186 436 2HB ALA 63 2HB ALA 63 -1.494 5.595 5.850 437 3HB ALA 63 3HB ALA 63 -1.924 4.213 6.857 438 H VAL 64 H VAL 64 1.934 4.551 4.801 439 HA VAL 64 HA VAL 64 3.067 4.048 7.426 440 HB VAL 64 HB VAL 64 4.421 5.074 4.929 441 1HG1 VAL 64 1HG1 VAL 64 5.603 3.919 7.452 442 2HG1 VAL 64 2HG1 VAL 64 5.625 5.622 6.993 443 3HG1 VAL 64 3HG1 VAL 64 6.498 4.433 6.023 444 1HG2 VAL 64 1HG2 VAL 64 5.231 2.786 4.666 445 2HG2 VAL 64 2HG2 VAL 64 3.471 2.866 4.591 446 3HG2 VAL 64 3HG2 VAL 64 4.267 2.287 6.055 447 H ASN 65 H ASN 65 2.183 5.575 8.697 448 HA ASN 65 HA ASN 65 3.601 7.820 9.293 449 2HB ASN 65 2HB ASN 65 1.120 8.635 7.748 450 1HD2 ASN 65 1HD2 ASN 65 2.986 10.897 6.937 451 2HD2 ASN 65 2HD2 ASN 65 2.864 12.020 8.245 452 H GLU 66 H GLU 66 0.159 7.042 8.922 453 HA GLU 66 HA GLU 66 -0.324 7.684 11.719 454 2HB GLU 66 2HB GLU 66 -2.269 6.745 9.599 455 2HG GLU 66 2HG GLU 66 -2.813 8.265 12.136 456 H ASP 67 H ASP 67 0.328 4.984 9.745 457 HA ASP 67 HA ASP 67 0.497 2.758 10.118 458 2HB ASP 67 2HB ASP 67 0.046 3.560 13.004 459 H LYS 68 H LYS 68 -1.288 2.377 8.859 460 HA LYS 68 HA LYS 68 -3.436 1.013 10.112 461 2HB LYS 68 2HB LYS 68 -4.258 3.324 10.439 462 2HG LYS 68 2HG LYS 68 -3.445 3.650 7.682 463 2HD LYS 68 2HD LYS 68 -6.010 3.298 7.544 464 2HE LYS 68 2HE LYS 68 -7.294 5.372 7.880 465 1HZ LYS 68 1HZ LYS 68 -7.501 5.258 10.257 466 2HZ LYS 68 2HZ LYS 68 -6.018 4.464 10.395 467 3HZ LYS 68 3HZ LYS 68 -7.321 3.689 9.636 468 H GLU 69 H GLU 69 -5.011 0.219 8.396 469 HA GLU 69 HA GLU 69 -3.493 -0.246 5.908 470 2HB GLU 69 2HB GLU 69 -4.614 -2.361 5.707 471 2HG GLU 69 2HG GLU 69 -2.780 -2.256 7.462 472 H LEU 70 H LEU 70 -4.459 0.181 3.930 473 HA LEU 70 HA LEU 70 -7.044 1.558 4.072 474 2HB LEU 70 2HB LEU 70 -6.560 2.393 1.839 475 HG LEU 70 HG LEU 70 -3.955 2.732 3.299 476 1HD1 LEU 70 1HD1 LEU 70 -4.104 4.979 2.307 477 2HD1 LEU 70 2HD1 LEU 70 -5.602 4.504 1.503 478 3HD1 LEU 70 3HD1 LEU 70 -4.088 3.698 1.094 479 1HD2 LEU 70 1HD2 LEU 70 -4.935 4.531 4.582 480 2HD2 LEU 70 2HD2 LEU 70 -5.775 3.018 4.931 481 3HD2 LEU 70 3HD2 LEU 70 -6.519 4.215 3.869 482 H CYS 71 H CYS 71 -5.515 -0.563 1.644 483 HA CYS 71 HA CYS 71 -7.950 -2.166 1.523 484 2HB CYS 71 2HB CYS 71 -8.394 -0.434 -0.115 485 HG CYS 71 HG CYS 71 -5.227 -1.007 -1.195 486 H HIS 72 H HIS 72 -7.633 -4.157 0.220 487 HA HIS 72 HA HIS 72 -4.833 -4.818 -0.279 488 2HB HIS 72 2HB HIS 72 -5.367 -5.575 2.025 489 HD1 HIS 72 1HD HIS 72 -7.822 -5.529 2.906 490 HD2 HIS 72 2HD HIS 72 -6.905 -8.792 0.488 491 HE1 HIS 72 1HE HIS 72 -9.701 -7.171 3.232 492 H TYR 73 H TYR 73 -4.474 -6.301 -1.863 493 HA TYR 73 HA TYR 73 -4.816 -7.715 -3.603 494 2HB TYR 73 2HB TYR 73 -7.275 -8.608 -3.903 495 HD1 TYR 73 1HD TYR 73 -7.577 -9.857 -0.884 496 HD2 TYR 73 2HD TYR 73 -4.573 -9.700 -3.888 497 HE1 TYR 73 1HE TYR 73 -6.605 -11.936 -0.015 498 HE2 TYR 73 2HE TYR 73 -3.591 -11.780 -3.026 499 HH TYR 73 HH TYR 73 -5.195 -13.769 -0.770 500 H PHE 74 H PHE 74 -7.320 -5.267 -3.187 501 HA PHE 74 HA PHE 74 -7.226 -4.755 -6.057 502 2HB PHE 74 2HB PHE 74 -9.765 -4.417 -5.939 503 HD1 PHE 74 1HD PHE 74 -8.794 -5.637 -7.998 504 HD2 PHE 74 2HD PHE 74 -9.851 -7.585 -4.362 505 HE1 PHE 74 1HE PHE 74 -8.964 -7.777 -9.196 506 HE2 PHE 74 2HE PHE 74 -10.030 -9.728 -5.558 507 HZ PHE 74 HZ PHE 74 -9.585 -9.825 -7.979 508 H LEU 75 H LEU 75 -7.360 -2.621 -6.553 509 HA LEU 75 HA LEU 75 -7.113 -0.827 -4.286 510 2HB LEU 75 2HB LEU 75 -6.788 -0.190 -7.208 511 HG LEU 75 HG LEU 75 -6.905 1.724 -5.524 512 1HD1 LEU 75 1HD1 LEU 75 -4.935 2.106 -4.169 513 2HD1 LEU 75 2HD1 LEU 75 -4.225 0.596 -4.741 514 3HD1 LEU 75 3HD1 LEU 75 -5.678 0.563 -3.740 515 1HD2 LEU 75 1HD2 LEU 75 -5.925 1.983 -7.739 516 2HD2 LEU 75 2HD2 LEU 75 -4.385 1.366 -7.140 517 3HD2 LEU 75 3HD2 LEU 75 -5.016 2.899 -6.537 518 H ASP 76 H ASP 76 -8.920 -0.036 -3.504 519 HA ASP 76 HA ASP 76 -11.354 0.195 -4.904 520 2HB ASP 76 2HB ASP 76 -10.402 1.495 -2.348 521 H SER 77 H SER 77 -8.654 2.330 -4.522 522 HA SER 77 HA SER 77 -8.030 4.196 -5.640 523 2HB SER 77 2HB SER 77 -9.357 5.059 -7.529 524 HG SER 77 HG SER 77 -9.371 2.225 -7.615 525 H ASP 78 H ASP 78 -11.395 4.232 -4.455 526 HA ASP 78 HA ASP 78 -11.353 7.082 -4.058 527 2HB ASP 78 2HB ASP 78 -13.266 5.008 -2.956 528 H VAL 79 H VAL 79 -11.156 4.240 -1.933 529 HA VAL 79 HA VAL 79 -10.830 5.526 0.502 530 HB VAL 79 HB VAL 79 -9.703 2.908 -0.482 531 1HG1 VAL 79 1HG1 VAL 79 -9.155 2.338 1.816 532 2HG1 VAL 79 2HG1 VAL 79 -9.661 3.938 2.358 533 3HG1 VAL 79 3HG1 VAL 79 -8.247 3.767 1.318 534 1HG2 VAL 79 1HG2 VAL 79 -11.442 2.001 1.028 535 2HG2 VAL 79 2HG2 VAL 79 -12.099 2.977 -0.287 536 3HG2 VAL 79 3HG2 VAL 79 -11.982 3.651 1.340 537 H ILE 80 H ILE 80 -8.251 4.572 -1.778 538 HA ILE 80 HA ILE 80 -6.164 5.665 -0.204 539 HB ILE 80 HB ILE 80 -5.688 3.983 -1.912 540 2HG1 ILE 80 2HG1 ILE 80 -4.357 6.652 -2.329 541 1HG2 ILE 80 1HG2 ILE 80 -6.339 6.120 -3.907 542 2HG2 ILE 80 2HG2 ILE 80 -7.320 4.690 -3.567 543 3HG2 ILE 80 3HG2 ILE 80 -5.707 4.512 -4.262 544 1HD1 ILE 80 1HD1 ILE 80 -4.056 5.655 -0.123 545 2HD1 ILE 80 2HD1 ILE 80 -2.557 5.731 -1.047 546 3HD1 ILE 80 3HD1 ILE 80 -3.420 4.201 -0.889 547 H GLY 81 H GLY 81 -8.235 6.985 -2.725 548 1HA GLY 81 1HA GLY 81 -6.823 9.437 -3.033 549 2HA GLY 81 2HA GLY 81 -8.483 9.129 -3.525 550 H ALA 82 H ALA 82 -9.098 8.266 -0.714 551 HA ALA 82 HA ALA 82 -9.813 10.838 0.324 552 1HB ALA 82 1HB ALA 82 -10.815 9.548 2.172 553 2HB ALA 82 2HB ALA 82 -10.090 8.077 1.519 554 3HB ALA 82 3HB ALA 82 -11.310 8.945 0.589 555 H TYR 83 H TYR 83 -7.353 8.445 0.911 556 HA TYR 83 HA TYR 83 -6.445 9.711 3.352 557 2HB TYR 83 2HB TYR 83 -5.429 7.329 1.793 558 HD1 TYR 83 1HD TYR 83 -3.068 7.490 1.832 559 HD2 TYR 83 2HD TYR 83 -5.314 8.164 5.392 560 HE1 TYR 83 1HE TYR 83 -0.989 7.492 3.150 561 HE2 TYR 83 2HE TYR 83 -3.239 8.177 6.709 562 HH TYR 83 HH TYR 83 -0.943 7.332 6.540 563 H LEU 84 H LEU 84 -5.420 9.453 -0.015 564 HA LEU 84 HA LEU 84 -2.797 10.456 0.562 565 2HB LEU 84 2HB LEU 84 -3.273 10.562 -2.218 566 HG LEU 84 HG LEU 84 -1.909 8.436 -2.259 567 1HD1 LEU 84 1HD1 LEU 84 -0.874 10.636 -2.411 568 2HD1 LEU 84 2HD1 LEU 84 0.132 9.537 -1.466 569 3HD1 LEU 84 3HD1 LEU 84 -0.848 10.757 -0.653 570 1HD2 LEU 84 1HD2 LEU 84 -0.882 7.719 -0.176 571 2HD2 LEU 84 2HD2 LEU 84 -2.635 7.532 -0.115 572 3HD2 LEU 84 3HD2 LEU 84 -1.861 8.880 0.718 573 H SER 85 H SER 85 -5.614 12.059 0.479 574 HA SER 85 HA SER 85 -4.519 14.462 -0.772 575 2HB SER 85 2HB SER 85 -6.726 15.454 -0.300 576 HG SER 85 HG SER 85 -6.342 13.189 -1.786 Start of MODEL 7 1 HA MET 1 HA MET 1 9.056 27.011 7.632 2 2HB MET 1 2HB MET 1 8.026 24.827 5.834 3 2HG MET 1 2HG MET 1 8.025 26.683 4.155 4 1HE MET 1 1HE MET 1 5.909 28.120 3.517 5 2HE MET 1 2HE MET 1 6.282 29.251 4.816 6 3HE MET 1 3HE MET 1 4.652 28.591 4.664 7 H ASN 2 H ASN 2 6.985 27.523 8.300 8 HA ASN 2 HA ASN 2 5.905 26.062 10.388 9 2HB ASN 2 2HB ASN 2 4.513 28.081 8.619 10 1HD2 ASN 2 1HD2 ASN 2 2.430 27.421 8.772 11 2HD2 ASN 2 2HD2 ASN 2 1.578 27.255 10.276 12 H ASN 3 H ASN 3 4.693 26.203 7.022 13 HA ASN 3 HA ASN 3 3.203 23.735 7.639 14 2HB ASN 3 2HB ASN 3 2.282 25.779 5.614 15 1HD2 ASN 3 1HD2 ASN 3 1.603 23.023 7.705 16 2HD2 ASN 3 2HD2 ASN 3 0.229 22.458 6.818 17 H GLN 4 H GLN 4 5.354 22.894 6.904 18 HA GLN 4 HA GLN 4 5.666 22.856 4.008 19 2HB GLN 4 2HB GLN 4 7.724 23.040 5.216 20 2HG GLN 4 2HG GLN 4 7.138 20.447 6.607 21 1HE2 GLN 4 1HE2 GLN 4 9.216 19.689 6.273 22 2HE2 GLN 4 2HE2 GLN 4 10.606 20.445 6.964 23 H VAL 5 H VAL 5 5.960 20.646 2.959 24 HA VAL 5 HA VAL 5 3.791 18.934 3.985 25 HB VAL 5 HB VAL 5 3.116 18.525 1.654 26 1HG1 VAL 5 1HG1 VAL 5 1.991 20.236 2.970 27 2HG1 VAL 5 2HG1 VAL 5 2.073 20.704 1.270 28 3HG1 VAL 5 3HG1 VAL 5 3.172 21.434 2.442 29 1HG2 VAL 5 1HG2 VAL 5 4.001 19.910 -0.139 30 2HG2 VAL 5 2HG2 VAL 5 5.297 18.981 0.621 31 3HG2 VAL 5 3HG2 VAL 5 5.107 20.694 0.992 32 H GLU 6 H GLU 6 3.791 16.781 3.383 33 HA GLU 6 HA GLU 6 6.152 15.626 2.125 34 2HB GLU 6 2HB GLU 6 6.421 13.989 3.960 35 2HG GLU 6 2HG GLU 6 6.746 16.094 5.768 36 HA PRO 7 HA PRO 7 3.029 12.942 0.527 37 2HB PRO 7 2HB PRO 7 4.751 12.162 -0.832 38 2HG PRO 7 2HG PRO 7 6.818 11.495 0.094 39 2HD PRO 7 2HD PRO 7 6.642 13.722 0.742 40 H ARG 8 H ARG 8 1.693 11.085 0.948 41 HA ARG 8 HA ARG 8 1.527 10.565 3.766 42 2HB ARG 8 2HB ARG 8 -0.536 9.225 3.025 43 2HG ARG 8 2HG ARG 8 -0.289 12.170 2.469 44 2HD ARG 8 2HD ARG 8 -2.686 10.365 2.394 45 HE ARG 8 HE ARG 8 -3.270 12.298 3.799 46 1HH1 ARG 8 1HH1 ARG 8 -2.777 12.902 0.384 47 2HH1 ARG 8 2HH1 ARG 8 -3.917 14.203 0.317 48 1HH2 ARG 8 1HH2 ARG 8 -4.812 13.965 3.709 49 2HH2 ARG 8 2HH2 ARG 8 -5.109 14.795 2.208 50 H LYS 9 H LYS 9 2.658 8.902 0.979 51 HA LYS 9 HA LYS 9 4.003 7.109 0.760 52 2HB LYS 9 2HB LYS 9 4.275 6.568 3.634 53 2HG LYS 9 2HG LYS 9 6.659 6.748 3.173 54 2HD LYS 9 2HD LYS 9 5.238 5.102 1.078 55 2HE LYS 9 2HE LYS 9 7.701 5.355 0.805 56 1HZ LYS 9 1HZ LYS 9 7.947 3.750 3.277 57 2HZ LYS 9 2HZ LYS 9 8.154 5.430 3.275 58 3HZ LYS 9 3HZ LYS 9 9.185 4.447 2.356 59 H LEU 10 H LEU 10 2.920 5.474 -0.093 60 HA LEU 10 HA LEU 10 1.379 3.703 1.671 61 2HB LEU 10 2HB LEU 10 0.734 2.654 -0.593 62 HG LEU 10 HG LEU 10 -0.223 5.467 -0.054 63 1HD1 LEU 10 1HD1 LEU 10 -1.472 3.216 -1.622 64 2HD1 LEU 10 2HD1 LEU 10 -0.726 4.657 -2.316 65 3HD1 LEU 10 3HD1 LEU 10 -2.177 4.802 -1.325 66 1HD2 LEU 10 1HD2 LEU 10 -2.073 4.351 1.105 67 2HD2 LEU 10 2HD2 LEU 10 -0.522 4.014 1.876 68 3HD2 LEU 10 3HD2 LEU 10 -1.286 2.793 0.853 69 H VAL 11 H VAL 11 2.102 1.759 2.175 70 HA VAL 11 HA VAL 11 4.395 0.674 0.677 71 HB VAL 11 HB VAL 11 3.468 0.132 3.500 72 1HG1 VAL 11 1HG1 VAL 11 4.127 -1.970 2.417 73 2HG1 VAL 11 2HG1 VAL 11 5.266 -1.492 3.678 74 3HG1 VAL 11 3HG1 VAL 11 5.678 -1.246 1.981 75 1HG2 VAL 11 1HG2 VAL 11 4.805 2.151 3.209 76 2HG2 VAL 11 2HG2 VAL 11 6.062 1.211 2.407 77 3HG2 VAL 11 3HG2 VAL 11 5.698 0.926 4.110 78 H VAL 12 H VAL 12 4.118 -1.150 -0.455 79 HA VAL 12 HA VAL 12 1.531 -2.516 -0.234 80 HB VAL 12 HB VAL 12 3.649 -2.786 -2.366 81 1HG1 VAL 12 1HG1 VAL 12 2.361 -4.817 -2.100 82 2HG1 VAL 12 2HG1 VAL 12 1.927 -4.015 -3.610 83 3HG1 VAL 12 3HG1 VAL 12 0.859 -3.903 -2.210 84 1HG2 VAL 12 1HG2 VAL 12 2.083 -1.583 -3.806 85 2HG2 VAL 12 2HG2 VAL 12 2.605 -0.602 -2.438 86 3HG2 VAL 12 3HG2 VAL 12 1.008 -1.350 -2.428 87 H TYR 13 H TYR 13 1.576 -4.086 1.234 88 HA TYR 13 HA TYR 13 3.978 -5.640 1.675 89 2HB TYR 13 2HB TYR 13 2.445 -6.923 3.269 90 HD1 TYR 13 1HD TYR 13 0.980 -4.590 4.945 91 HD2 TYR 13 2HD TYR 13 4.889 -5.219 3.378 92 HE1 TYR 13 1HE TYR 13 1.918 -3.157 6.713 93 HE2 TYR 13 2HE TYR 13 5.834 -3.786 5.137 94 HH TYR 13 HH TYR 13 5.043 -1.924 6.627 95 H GLY 14 H GLY 14 4.486 -7.342 0.529 96 1HA GLY 14 1HA GLY 14 2.334 -9.073 -0.493 97 2HA GLY 14 2HA GLY 14 3.573 -8.493 -1.602 98 H ARG 15 H ARG 15 3.304 -11.173 -1.351 99 HA ARG 15 HA ARG 15 5.797 -11.842 0.030 100 2HB ARG 15 2HB ARG 15 4.143 -12.672 1.539 101 2HG ARG 15 2HG ARG 15 2.808 -13.827 -0.887 102 2HD ARG 15 2HD ARG 15 1.244 -14.890 0.759 103 HE ARG 15 HE ARG 15 3.821 -15.914 0.068 104 1HH1 ARG 15 1HH1 ARG 15 0.975 -16.564 2.002 105 2HH1 ARG 15 2HH1 ARG 15 1.218 -18.284 2.012 106 1HH2 ARG 15 1HH2 ARG 15 4.131 -18.156 0.049 107 2HH2 ARG 15 2HH2 ARG 15 2.998 -19.194 0.882 108 H GLU 16 H GLU 16 7.177 -12.704 -1.287 109 HA GLU 16 HA GLU 16 8.154 -13.846 -2.966 110 2HB GLU 16 2HB GLU 16 7.094 -15.953 -3.652 111 2HG GLU 16 2HG GLU 16 6.965 -15.216 -0.748 112 H GLY 17 H GLY 17 4.862 -14.247 -4.260 113 1HA GLY 17 1HA GLY 17 5.264 -12.184 -6.233 114 2HA GLY 17 2HA GLY 17 5.404 -13.810 -6.888 115 H CYS 18 H CYS 18 3.380 -11.521 -7.124 116 HA CYS 18 HA CYS 18 1.053 -13.264 -7.108 117 2HB CYS 18 2HB CYS 18 -0.366 -11.594 -5.971 118 HG CYS 18 HG CYS 18 1.821 -13.442 -4.450 119 H HIS 19 H HIS 19 0.287 -13.117 -9.115 120 HA HIS 19 HA HIS 19 1.051 -11.216 -11.007 121 2HB HIS 19 2HB HIS 19 -1.479 -12.878 -10.977 122 HD1 HIS 19 1HD HIS 19 -2.731 -11.118 -12.487 123 HD2 HIS 19 2HD HIS 19 0.780 -12.645 -14.116 124 HE1 HIS 19 1HE HIS 19 -2.793 -10.513 -14.929 125 H LEU 20 H LEU 20 -1.911 -11.391 -9.083 126 HA LEU 20 HA LEU 20 -3.181 -9.152 -10.217 127 2HB LEU 20 2HB LEU 20 -3.562 -10.182 -7.408 128 HG LEU 20 HG LEU 20 -6.047 -9.908 -8.149 129 1HD1 LEU 20 1HD1 LEU 20 -4.354 -7.536 -7.397 130 2HD1 LEU 20 2HD1 LEU 20 -5.025 -8.733 -6.289 131 3HD1 LEU 20 3HD1 LEU 20 -6.103 -7.675 -7.197 132 1HD2 LEU 20 1HD2 LEU 20 -5.629 -9.286 -10.451 133 2HD2 LEU 20 2HD2 LEU 20 -4.666 -7.903 -9.927 134 3HD2 LEU 20 3HD2 LEU 20 -6.398 -7.951 -9.592 135 H CYS 21 H CYS 21 -0.815 -9.451 -7.656 136 HA CYS 21 HA CYS 21 -1.152 -6.859 -6.545 137 2HB CYS 21 2HB CYS 21 1.296 -8.639 -6.526 138 HG CYS 21 HG CYS 21 1.875 -5.888 -5.817 139 H GLU 22 H GLU 22 0.893 -8.180 -9.098 140 HA GLU 22 HA GLU 22 2.508 -5.982 -9.663 141 2HB GLU 22 2HB GLU 22 2.695 -6.932 -11.924 142 2HG GLU 22 2HG GLU 22 3.131 -9.346 -11.365 143 H GLU 23 H GLU 23 -0.765 -6.746 -10.650 144 HA GLU 23 HA GLU 23 -1.074 -4.622 -12.507 145 2HB GLU 23 2HB GLU 23 -3.407 -5.267 -12.528 146 2HG GLU 23 2HG GLU 23 -1.696 -7.708 -12.123 147 H MET 24 H MET 24 -1.715 -4.987 -9.070 148 HA MET 24 HA MET 24 -3.079 -2.521 -8.717 149 2HB MET 24 2HB MET 24 -2.580 -2.778 -6.342 150 2HG MET 24 2HG MET 24 -3.221 -5.437 -7.589 151 1HE MET 24 1HE MET 24 -4.792 -3.356 -4.631 152 2HE MET 24 2HE MET 24 -3.057 -3.140 -4.399 153 3HE MET 24 3HE MET 24 -3.989 -4.084 -3.239 154 H ILE 25 H ILE 25 0.306 -3.498 -8.478 155 HA ILE 25 HA ILE 25 1.429 -1.116 -7.589 156 HB ILE 25 HB ILE 25 2.589 -3.180 -9.467 157 2HG1 ILE 25 2HG1 ILE 25 1.963 -3.989 -7.220 158 1HG2 ILE 25 1HG2 ILE 25 3.989 -0.930 -8.015 159 2HG2 ILE 25 2HG2 ILE 25 3.776 -1.092 -9.760 160 3HG2 ILE 25 3HG2 ILE 25 4.789 -2.239 -8.886 161 1HD1 ILE 25 1HD1 ILE 25 4.078 -4.885 -6.485 162 2HD1 ILE 25 2HD1 ILE 25 4.942 -3.721 -7.490 163 3HD1 ILE 25 3HD1 ILE 25 3.949 -4.969 -8.242 164 H ALA 26 H ALA 26 0.785 -2.180 -10.918 165 HA ALA 26 HA ALA 26 1.744 0.124 -12.211 166 1HB ALA 26 1HB ALA 26 -0.431 -1.769 -13.104 167 2HB ALA 26 2HB ALA 26 1.299 -1.964 -13.389 168 3HB ALA 26 3HB ALA 26 0.426 -0.623 -14.134 169 H SER 27 H SER 27 -1.442 -0.683 -10.928 170 HA SER 27 HA SER 27 -2.860 1.548 -11.857 171 2HB SER 27 2HB SER 27 -4.466 1.009 -10.048 172 HG SER 27 HG SER 27 -3.357 -1.368 -11.170 173 H LEU 28 H LEU 28 -0.877 1.065 -8.985 174 HA LEU 28 HA LEU 28 -1.579 3.515 -7.733 175 2HB LEU 28 2HB LEU 28 0.329 3.048 -6.256 176 HG LEU 28 HG LEU 28 -1.324 0.589 -6.830 177 1HD1 LEU 28 1HD1 LEU 28 0.688 0.004 -5.599 178 2HD1 LEU 28 2HD1 LEU 28 -0.732 -0.103 -4.559 179 3HD1 LEU 28 3HD1 LEU 28 0.357 1.277 -4.424 180 1HD2 LEU 28 1HD2 LEU 28 -2.647 2.561 -6.248 181 2HD2 LEU 28 2HD2 LEU 28 -1.673 2.786 -4.794 182 3HD2 LEU 28 3HD2 LEU 28 -2.687 1.355 -4.960 183 H ARG 29 H ARG 29 0.966 2.576 -9.978 184 HA ARG 29 HA ARG 29 2.584 4.868 -9.703 185 2HB ARG 29 2HB ARG 29 3.447 4.332 -11.941 186 2HG ARG 29 2HG ARG 29 4.254 2.104 -11.606 187 2HD ARG 29 2HD ARG 29 5.172 2.250 -9.389 188 HE ARG 29 HE ARG 29 4.918 4.953 -10.545 189 1HH1 ARG 29 1HH1 ARG 29 6.865 2.327 -9.263 190 2HH1 ARG 29 2HH1 ARG 29 8.358 3.214 -9.402 191 1HH2 ARG 29 1HH2 ARG 29 6.866 6.127 -10.662 192 2HH2 ARG 29 2HH2 ARG 29 8.349 5.384 -10.143 193 H VAL 30 H VAL 30 -0.217 4.171 -11.721 194 HA VAL 30 HA VAL 30 -0.174 6.588 -13.193 195 HB VAL 30 HB VAL 30 -2.534 4.801 -12.567 196 1HG1 VAL 30 1HG1 VAL 30 -3.572 5.797 -14.543 197 2HG1 VAL 30 2HG1 VAL 30 -2.186 6.872 -14.736 198 3HG1 VAL 30 3HG1 VAL 30 -3.227 7.021 -13.322 199 1HG2 VAL 30 1HG2 VAL 30 -0.659 4.835 -14.929 200 2HG2 VAL 30 2HG2 VAL 30 -2.091 3.817 -14.768 201 3HG2 VAL 30 3HG2 VAL 30 -0.726 3.601 -13.672 202 H LEU 31 H LEU 31 -1.881 5.621 -10.221 203 HA LEU 31 HA LEU 31 -3.311 8.017 -9.882 204 2HB LEU 31 2HB LEU 31 -2.949 7.180 -7.316 205 HG LEU 31 HG LEU 31 -4.869 5.801 -9.194 206 1HD1 LEU 31 1HD1 LEU 31 -4.671 4.778 -6.987 207 2HD1 LEU 31 2HD1 LEU 31 -6.235 5.574 -7.175 208 3HD1 LEU 31 3HD1 LEU 31 -4.961 6.345 -6.225 209 1HD2 LEU 31 1HD2 LEU 31 -5.187 8.408 -7.696 210 2HD2 LEU 31 2HD2 LEU 31 -6.452 7.576 -8.604 211 3HD2 LEU 31 3HD2 LEU 31 -5.048 8.229 -9.446 212 H GLN 32 H GLN 32 -0.051 7.104 -8.987 213 HA GLN 32 HA GLN 32 0.558 9.186 -7.229 214 2HB GLN 32 2HB GLN 32 2.941 8.834 -8.310 215 2HG GLN 32 2HG GLN 32 1.498 6.681 -6.787 216 1HE2 GLN 32 1HE2 GLN 32 2.843 5.196 -5.691 217 2HE2 GLN 32 2HE2 GLN 32 4.401 4.788 -6.313 218 H LYS 33 H LYS 33 0.171 9.218 -10.669 219 HA LYS 33 HA LYS 33 1.643 11.630 -11.124 220 2HB LYS 33 2HB LYS 33 0.741 11.542 -13.363 221 2HG LYS 33 2HG LYS 33 1.183 8.682 -12.593 222 2HD LYS 33 2HD LYS 33 2.389 8.634 -14.716 223 2HE LYS 33 2HE LYS 33 -0.360 9.838 -15.005 224 1HZ LYS 33 1HZ LYS 33 0.985 9.629 -17.076 225 2HZ LYS 33 2HZ LYS 33 -0.447 8.721 -17.074 226 3HZ LYS 33 3HZ LYS 33 1.043 7.952 -16.817 227 H LYS 34 H LYS 34 -1.469 10.872 -9.976 228 HA LYS 34 HA LYS 34 -2.470 13.583 -10.479 229 2HB LYS 34 2HB LYS 34 -4.651 12.687 -9.749 230 2HG LYS 34 2HG LYS 34 -3.252 11.100 -11.884 231 2HD LYS 34 2HD LYS 34 -6.200 11.163 -11.244 232 2HE LYS 34 2HE LYS 34 -6.207 9.342 -13.017 233 1HZ LYS 34 1HZ LYS 34 -6.331 10.898 -14.830 234 2HZ LYS 34 2HZ LYS 34 -5.500 12.078 -13.947 235 3HZ LYS 34 3HZ LYS 34 -7.048 11.585 -13.458 236 H SER 35 H SER 35 -1.913 11.204 -7.943 237 HA SER 35 HA SER 35 -1.657 13.346 -5.959 238 2HB SER 35 2HB SER 35 -3.056 12.192 -4.371 239 HG SER 35 HG SER 35 -4.572 13.211 -5.420 240 H TRP 36 H TRP 36 0.259 13.097 -4.915 241 HA TRP 36 HA TRP 36 1.749 10.671 -5.462 242 2HB TRP 36 2HB TRP 36 2.720 13.030 -3.849 243 HD1 TRP 36 HD TRP 36 4.615 11.782 -2.552 244 HE1 TRP 36 1HE TRP 36 6.683 10.403 -3.256 245 HE3 TRP 36 3HE TRP 36 3.613 11.304 -7.547 246 HZ2 TRP 36 2HZ TRP 36 7.733 9.284 -5.601 247 HZ3 TRP 36 3HZ TRP 36 5.208 10.060 -8.950 248 HH2 TRP 36 HH TRP 36 7.226 9.072 -7.998 249 H PHE 37 H PHE 37 1.883 9.004 -4.165 250 HA PHE 37 HA PHE 37 1.700 9.451 -1.279 251 2HB PHE 37 2HB PHE 37 -0.460 8.647 -1.673 252 HD1 PHE 37 1HD PHE 37 1.442 5.786 -3.161 253 HD2 PHE 37 2HD PHE 37 -1.759 8.565 -3.547 254 HE1 PHE 37 1HE PHE 37 0.691 4.635 -5.196 255 HE2 PHE 37 2HE PHE 37 -2.515 7.418 -5.585 256 HZ PHE 37 HZ PHE 37 -1.291 5.446 -6.411 257 H GLU 38 H GLU 38 3.789 8.715 -3.449 258 HA GLU 38 HA GLU 38 5.668 7.443 -3.608 259 2HB GLU 38 2HB GLU 38 6.487 6.359 -1.467 260 2HG GLU 38 2HG GLU 38 6.551 8.620 -0.189 261 H LEU 39 H LEU 39 6.545 5.135 -3.261 262 HA LEU 39 HA LEU 39 4.505 3.131 -2.845 263 2HB LEU 39 2HB LEU 39 6.056 3.008 -5.414 264 HG LEU 39 HG LEU 39 5.121 0.882 -4.949 265 1HD1 LEU 39 1HD1 LEU 39 2.569 2.336 -4.261 266 2HD1 LEU 39 2HD1 LEU 39 3.646 1.515 -3.130 267 3HD1 LEU 39 3HD1 LEU 39 2.759 0.585 -4.337 268 1HD2 LEU 39 1HD2 LEU 39 3.194 2.381 -6.720 269 2HD2 LEU 39 2HD2 LEU 39 3.434 0.631 -6.693 270 3HD2 LEU 39 3HD2 LEU 39 4.739 1.693 -7.227 271 H GLU 40 H GLU 40 5.415 1.880 -1.395 272 HA GLU 40 HA GLU 40 8.190 1.004 -1.858 273 2HB GLU 40 2HB GLU 40 6.855 1.470 0.818 274 2HG GLU 40 2HG GLU 40 9.639 0.642 0.096 275 H VAL 41 H VAL 41 8.286 -1.099 -2.253 276 HA VAL 41 HA VAL 41 5.999 -2.773 -1.493 277 HB VAL 41 HB VAL 41 8.207 -3.375 -3.474 278 1HG1 VAL 41 1HG1 VAL 41 7.222 -5.384 -2.481 279 2HG1 VAL 41 2HG1 VAL 41 6.797 -5.236 -4.185 280 3HG1 VAL 41 3HG1 VAL 41 5.614 -4.826 -2.943 281 1HG2 VAL 41 1HG2 VAL 41 6.833 -1.544 -4.260 282 2HG2 VAL 41 2HG2 VAL 41 5.367 -2.468 -3.937 283 3HG2 VAL 41 3HG2 VAL 41 6.486 -2.998 -5.194 284 H ILE 42 H ILE 42 6.207 -4.120 0.174 285 HA ILE 42 HA ILE 42 8.930 -4.920 0.958 286 HB ILE 42 HB ILE 42 6.702 -4.097 2.823 287 2HG1 ILE 42 2HG1 ILE 42 7.858 -2.233 1.705 288 1HG2 ILE 42 1HG2 ILE 42 8.311 -4.480 4.627 289 2HG2 ILE 42 2HG2 ILE 42 9.479 -5.094 3.458 290 3HG2 ILE 42 3HG2 ILE 42 7.972 -5.966 3.742 291 1HD1 ILE 42 1HD1 ILE 42 8.780 -2.461 4.557 292 2HD1 ILE 42 2HD1 ILE 42 7.192 -1.898 4.041 293 3HD1 ILE 42 3HD1 ILE 42 8.635 -0.984 3.603 294 H ASN 43 H ASN 43 9.176 -7.026 0.886 295 HA ASN 43 HA ASN 43 7.088 -8.915 0.709 296 2HB ASN 43 2HB ASN 43 9.034 -10.541 1.273 297 1HD2 ASN 43 1HD2 ASN 43 8.246 -11.428 -0.550 298 2HD2 ASN 43 2HD2 ASN 43 8.663 -10.882 -2.144 299 H ILE 44 H ILE 44 5.855 -9.781 2.241 300 HA ILE 44 HA ILE 44 6.531 -9.335 5.035 301 HB ILE 44 HB ILE 44 4.358 -10.147 5.609 302 2HG1 ILE 44 2HG1 ILE 44 4.421 -12.048 3.918 303 1HG2 ILE 44 1HG2 ILE 44 4.167 -8.485 3.101 304 2HG2 ILE 44 2HG2 ILE 44 4.453 -7.879 4.733 305 3HG2 ILE 44 3HG2 ILE 44 2.916 -8.647 4.334 306 1HD1 ILE 44 1HD1 ILE 44 2.408 -11.643 5.236 307 2HD1 ILE 44 2HD1 ILE 44 2.021 -12.184 3.602 308 3HD1 ILE 44 3HD1 ILE 44 1.857 -10.482 4.030 309 H ASP 45 H ASP 45 6.697 -11.826 2.665 310 HA ASP 45 HA ASP 45 6.609 -14.093 4.302 311 2HB ASP 45 2HB ASP 45 6.444 -14.355 1.919 312 H GLY 46 H GLY 46 7.851 -14.669 5.895 313 1HA GLY 46 1HA GLY 46 10.103 -15.247 6.669 314 2HA GLY 46 2HA GLY 46 10.665 -13.767 5.902 315 H ASN 47 H ASN 47 8.362 -12.221 6.793 316 HA ASN 47 HA ASN 47 9.223 -11.715 9.543 317 2HB ASN 47 2HB ASN 47 7.801 -9.653 9.310 318 1HD2 ASN 47 1HD2 ASN 47 8.395 -8.357 6.734 319 2HD2 ASN 47 2HD2 ASN 47 10.103 -8.090 6.728 320 H GLU 48 H GLU 48 8.122 -12.654 11.157 321 HA GLU 48 HA GLU 48 5.906 -14.288 10.546 322 2HB GLU 48 2HB GLU 48 7.633 -14.742 12.318 323 2HG GLU 48 2HG GLU 48 6.964 -12.347 13.437 324 H HIS 49 H HIS 49 6.141 -11.116 12.087 325 HA HIS 49 HA HIS 49 3.522 -10.998 13.098 326 2HB HIS 49 2HB HIS 49 3.790 -8.516 13.014 327 HD1 HIS 49 1HD HIS 49 7.227 -8.399 13.589 328 HD2 HIS 49 2HD HIS 49 4.066 -10.180 15.623 329 HE1 HIS 49 1HE HIS 49 8.047 -8.757 15.936 330 H LEU 50 H LEU 50 4.839 -9.811 10.035 331 HA LEU 50 HA LEU 50 2.367 -8.905 9.009 332 2HB LEU 50 2HB LEU 50 3.565 -8.797 6.848 333 HG LEU 50 HG LEU 50 5.237 -7.774 9.146 334 1HD1 LEU 50 1HD1 LEU 50 5.247 -7.016 6.226 335 2HD1 LEU 50 2HD1 LEU 50 6.526 -7.870 7.091 336 3HD1 LEU 50 3HD1 LEU 50 6.144 -6.200 7.508 337 1HD2 LEU 50 1HD2 LEU 50 3.064 -6.465 7.513 338 2HD2 LEU 50 2HD2 LEU 50 4.091 -5.644 8.687 339 3HD2 LEU 50 3HD2 LEU 50 2.981 -6.905 9.219 340 H THR 51 H THR 51 4.115 -11.957 8.730 341 HA THR 51 HA THR 51 2.458 -13.103 6.743 342 HB THR 51 HB THR 51 4.102 -14.515 8.860 343 HG1 THR 51 1HG THR 51 5.435 -13.204 7.599 344 1HG2 THR 51 1HG2 THR 51 4.126 -16.387 7.255 345 2HG2 THR 51 2HG2 THR 51 3.021 -15.491 6.212 346 3HG2 THR 51 3HG2 THR 51 2.495 -16.015 7.810 347 H ARG 52 H ARG 52 2.366 -13.194 10.277 348 HA ARG 52 HA ARG 52 0.222 -15.046 10.448 349 2HB ARG 52 2HB ARG 52 0.030 -14.160 12.818 350 2HG ARG 52 2HG ARG 52 2.693 -15.101 11.790 351 2HD ARG 52 2HD ARG 52 3.040 -13.927 13.906 352 HE ARG 52 HE ARG 52 0.608 -15.033 14.733 353 1HH1 ARG 52 1HH1 ARG 52 3.860 -14.472 15.970 354 2HH1 ARG 52 2HH1 ARG 52 3.340 -14.435 17.628 355 1HH2 ARG 52 1HH2 ARG 52 -0.054 -14.956 16.910 356 2HH2 ARG 52 2HH2 ARG 52 1.132 -14.719 18.165 357 H LEU 53 H LEU 53 0.417 -11.534 10.347 358 HA LEU 53 HA LEU 53 -2.325 -11.013 10.787 359 2HB LEU 53 2HB LEU 53 -1.759 -8.849 9.508 360 HG LEU 53 HG LEU 53 -0.170 -9.559 11.974 361 1HD1 LEU 53 1HD1 LEU 53 0.889 -7.706 10.792 362 2HD1 LEU 53 2HD1 LEU 53 0.103 -7.144 12.267 363 3HD1 LEU 53 3HD1 LEU 53 -0.659 -6.868 10.700 364 1HD2 LEU 53 1HD2 LEU 53 -1.909 -8.274 13.119 365 2HD2 LEU 53 2HD2 LEU 53 -2.591 -9.656 12.262 366 3HD2 LEU 53 3HD2 LEU 53 -2.744 -8.034 11.584 367 H TYR 54 H TYR 54 -0.461 -11.199 7.745 368 HA TYR 54 HA TYR 54 -3.025 -11.102 6.310 369 2HB TYR 54 2HB TYR 54 -1.837 -10.234 4.425 370 HD1 TYR 54 1HD TYR 54 0.928 -8.805 5.795 371 HD2 TYR 54 2HD TYR 54 -3.299 -8.742 6.274 372 HE1 TYR 54 1HE TYR 54 1.082 -6.578 6.825 373 HE2 TYR 54 2HE TYR 54 -3.158 -6.512 7.300 374 HH TYR 54 HH TYR 54 -1.530 -5.118 8.457 375 H ASN 55 H ASN 55 0.175 -12.588 5.798 376 HA ASN 55 HA ASN 55 0.830 -14.441 4.654 377 2HB ASN 55 2HB ASN 55 -1.608 -15.671 5.953 378 1HD2 ASN 55 1HD2 ASN 55 -1.600 -17.877 6.115 379 2HD2 ASN 55 2HD2 ASN 55 -0.540 -18.884 5.184 380 H ASP 56 H ASP 56 -2.625 -15.183 4.471 381 HA ASP 56 HA ASP 56 -2.216 -16.025 1.730 382 2HB ASP 56 2HB ASP 56 -4.597 -16.282 3.577 383 H ARG 57 H ARG 57 -3.376 -13.226 3.305 384 HA ARG 57 HA ARG 57 -4.705 -12.400 0.826 385 2HB ARG 57 2HB ARG 57 -6.242 -10.997 2.113 386 2HG ARG 57 2HG ARG 57 -6.690 -13.558 1.797 387 2HD ARG 57 2HD ARG 57 -7.024 -13.515 4.745 388 HE ARG 57 HE ARG 57 -6.649 -15.604 2.719 389 1HH1 ARG 57 1HH1 ARG 57 -7.461 -14.695 6.008 390 2HH1 ARG 57 2HH1 ARG 57 -8.004 -16.294 6.441 391 1HH2 ARG 57 1HH2 ARG 57 -7.347 -17.671 3.271 392 2HH2 ARG 57 2HH2 ARG 57 -7.953 -17.994 4.868 393 H VAL 58 H VAL 58 -2.610 -11.687 0.250 394 HA VAL 58 HA VAL 58 -1.348 -9.771 1.948 395 HB VAL 58 HB VAL 58 0.017 -9.889 -0.521 396 1HG1 VAL 58 1HG1 VAL 58 0.597 -11.132 2.155 397 2HG1 VAL 58 2HG1 VAL 58 0.996 -9.487 1.662 398 3HG1 VAL 58 3HG1 VAL 58 1.777 -10.857 0.873 399 1HG2 VAL 58 1HG2 VAL 58 -0.602 -12.641 0.567 400 2HG2 VAL 58 2HG2 VAL 58 0.508 -12.254 -0.749 401 3HG2 VAL 58 3HG2 VAL 58 -1.223 -11.987 -0.950 402 HA PRO 59 HA PRO 59 -0.533 -7.059 -1.686 403 2HB PRO 59 2HB PRO 59 -1.690 -6.708 -3.672 404 2HG PRO 59 2HG PRO 59 -1.174 -8.883 -4.059 405 2HD PRO 59 2HD PRO 59 -0.724 -10.023 -2.159 406 H VAL 60 H VAL 60 -0.680 -6.150 0.482 407 HA VAL 60 HA VAL 60 -3.185 -4.741 1.086 408 HB VAL 60 HB VAL 60 -1.748 -4.669 3.431 409 1HG1 VAL 60 1HG1 VAL 60 -3.282 -6.292 4.274 410 2HG1 VAL 60 2HG1 VAL 60 -3.581 -6.935 2.659 411 3HG1 VAL 60 3HG1 VAL 60 -4.140 -5.312 3.083 412 1HG2 VAL 60 1HG2 VAL 60 -0.873 -6.889 3.851 413 2HG2 VAL 60 2HG2 VAL 60 -0.028 -6.162 2.483 414 3HG2 VAL 60 3HG2 VAL 60 -1.275 -7.383 2.208 415 H LEU 61 H LEU 61 -3.187 -2.612 0.909 416 HA LEU 61 HA LEU 61 -0.694 -1.162 0.649 417 2HB LEU 61 2HB LEU 61 -2.293 0.819 0.396 418 HG LEU 61 HG LEU 61 -2.635 -1.432 -1.584 419 1HD1 LEU 61 1HD1 LEU 61 -3.131 0.354 -3.179 420 2HD1 LEU 61 2HD1 LEU 61 -3.017 1.546 -1.882 421 3HD1 LEU 61 3HD1 LEU 61 -4.298 0.332 -1.858 422 1HD2 LEU 61 1HD2 LEU 61 -0.606 0.799 -1.451 423 2HD2 LEU 61 2HD2 LEU 61 -0.784 -0.345 -2.781 424 3HD2 LEU 61 3HD2 LEU 61 -0.284 -0.918 -1.190 425 H PHE 62 H PHE 62 0.363 -0.638 2.378 426 HA PHE 62 HA PHE 62 -1.011 -0.184 4.901 427 2HB PHE 62 2HB PHE 62 1.928 -0.419 4.211 428 HD1 PHE 62 1HD PHE 62 0.007 -1.476 7.186 429 HD2 PHE 62 2HD PHE 62 2.980 1.134 5.607 430 HE1 PHE 62 1HE PHE 62 0.631 -0.807 9.467 431 HE2 PHE 62 2HE PHE 62 3.607 1.811 7.887 432 HZ PHE 62 HZ PHE 62 2.429 0.839 9.824 433 H ALA 63 H ALA 63 -1.466 1.761 5.595 434 HA ALA 63 HA ALA 63 -0.404 4.146 4.344 435 1HB ALA 63 1HB ALA 63 -2.292 3.831 6.685 436 2HB ALA 63 2HB ALA 63 -2.768 4.016 4.995 437 3HB ALA 63 3HB ALA 63 -1.938 5.330 5.826 438 H VAL 64 H VAL 64 1.570 4.808 4.922 439 HA VAL 64 HA VAL 64 2.838 3.872 7.302 440 HB VAL 64 HB VAL 64 3.776 5.936 5.300 441 1HG1 VAL 64 1HG1 VAL 64 5.352 4.332 7.305 442 2HG1 VAL 64 2HG1 VAL 64 5.021 6.063 7.398 443 3HG1 VAL 64 3HG1 VAL 64 6.020 5.424 6.090 444 1HG2 VAL 64 1HG2 VAL 64 3.343 3.872 4.175 445 2HG2 VAL 64 2HG2 VAL 64 4.157 2.954 5.440 446 3HG2 VAL 64 3HG2 VAL 64 5.088 4.018 4.389 447 H ASN 65 H ASN 65 0.972 6.663 6.565 448 HA ASN 65 HA ASN 65 2.148 8.406 8.501 449 2HB ASN 65 2HB ASN 65 -0.214 9.565 8.196 450 1HD2 ASN 65 1HD2 ASN 65 2.654 8.623 6.468 451 2HD2 ASN 65 2HD2 ASN 65 2.945 10.151 5.719 452 H GLU 66 H GLU 66 -0.847 6.451 8.523 453 HA GLU 66 HA GLU 66 -1.190 7.170 11.348 454 2HB GLU 66 2HB GLU 66 -3.175 5.835 9.503 455 2HG GLU 66 2HG GLU 66 -3.578 7.298 12.104 456 H ASP 67 H ASP 67 0.093 4.721 9.545 457 HA ASP 67 HA ASP 67 0.821 2.628 9.983 458 2HB ASP 67 2HB ASP 67 0.051 3.104 12.865 459 H LYS 68 H LYS 68 -0.985 1.960 8.708 460 HA LYS 68 HA LYS 68 -2.222 -0.303 9.798 461 2HB LYS 68 2HB LYS 68 -3.765 1.378 10.808 462 2HG LYS 68 2HG LYS 68 -4.392 2.043 7.940 463 2HD LYS 68 2HD LYS 68 -6.064 3.622 9.092 464 2HE LYS 68 2HE LYS 68 -6.736 1.669 7.699 465 1HZ LYS 68 1HZ LYS 68 -5.947 -0.210 8.863 466 2HZ LYS 68 2HZ LYS 68 -7.628 -0.278 8.993 467 3HZ LYS 68 3HZ LYS 68 -6.697 0.260 10.307 468 H GLU 69 H GLU 69 -3.971 -1.099 8.097 469 HA GLU 69 HA GLU 69 -2.856 -0.502 5.454 470 2HB GLU 69 2HB GLU 69 -2.788 -2.764 5.484 471 2HG GLU 69 2HG GLU 69 -3.449 -3.121 7.763 472 H LEU 70 H LEU 70 -4.289 -0.227 3.647 473 HA LEU 70 HA LEU 70 -6.878 0.957 4.431 474 2HB LEU 70 2HB LEU 70 -6.778 2.261 2.395 475 HG LEU 70 HG LEU 70 -4.070 2.475 3.701 476 1HD1 LEU 70 1HD1 LEU 70 -5.640 4.343 1.932 477 2HD1 LEU 70 2HD1 LEU 70 -4.117 3.541 1.544 478 3HD1 LEU 70 3HD1 LEU 70 -4.169 4.776 2.804 479 1HD2 LEU 70 1HD2 LEU 70 -5.074 4.286 5.006 480 2HD2 LEU 70 2HD2 LEU 70 -5.867 2.743 5.331 481 3HD2 LEU 70 3HD2 LEU 70 -6.648 3.934 4.289 482 H CYS 71 H CYS 71 -5.550 -0.225 1.404 483 HA CYS 71 HA CYS 71 -7.996 -1.800 0.982 484 2HB CYS 71 2HB CYS 71 -6.259 -0.317 -1.010 485 HG CYS 71 HG CYS 71 -9.078 -2.159 -1.637 486 H HIS 72 H HIS 72 -7.779 -3.860 0.201 487 HA HIS 72 HA HIS 72 -5.064 -4.768 -0.423 488 2HB HIS 72 2HB HIS 72 -5.354 -5.503 1.827 489 HD1 HIS 72 1HD HIS 72 -7.327 -4.805 3.288 490 HD2 HIS 72 2HD HIS 72 -8.217 -7.918 0.665 491 HE1 HIS 72 1HE HIS 72 -9.577 -5.677 3.998 492 H TYR 73 H TYR 73 -4.892 -5.950 -2.157 493 HA TYR 73 HA TYR 73 -5.359 -7.026 -4.079 494 2HB TYR 73 2HB TYR 73 -7.551 -8.302 -4.258 495 HD1 TYR 73 1HD TYR 73 -6.332 -8.632 -0.791 496 HD2 TYR 73 2HD TYR 73 -6.011 -10.032 -4.797 497 HE1 TYR 73 1HE TYR 73 -4.990 -10.538 -0.014 498 HE2 TYR 73 2HE TYR 73 -4.671 -11.944 -4.026 499 HH TYR 73 HH TYR 73 -3.310 -12.616 -2.187 500 H PHE 74 H PHE 74 -6.044 -6.510 -5.995 501 HA PHE 74 HA PHE 74 -6.900 -5.333 -7.708 502 2HB PHE 74 2HB PHE 74 -9.336 -4.849 -7.659 503 HD1 PHE 74 1HD PHE 74 -8.838 -6.520 -9.402 504 HD2 PHE 74 2HD PHE 74 -9.342 -7.609 -5.319 505 HE1 PHE 74 1HE PHE 74 -9.131 -8.869 -10.068 506 HE2 PHE 74 2HE PHE 74 -9.632 -9.961 -5.977 507 HZ PHE 74 HZ PHE 74 -9.521 -10.589 -8.352 508 H LEU 75 H LEU 75 -9.140 -3.467 -5.948 509 HA LEU 75 HA LEU 75 -7.690 -1.389 -4.909 510 2HB LEU 75 2HB LEU 75 -8.512 -0.540 -7.661 511 HG LEU 75 HG LEU 75 -7.832 1.229 -6.115 512 1HD1 LEU 75 1HD1 LEU 75 -6.351 -0.162 -4.703 513 2HD1 LEU 75 2HD1 LEU 75 -5.581 1.335 -5.233 514 3HD1 LEU 75 3HD1 LEU 75 -5.173 -0.194 -6.017 515 1HD2 LEU 75 1HD2 LEU 75 -6.129 2.254 -7.518 516 2HD2 LEU 75 2HD2 LEU 75 -7.338 1.442 -8.515 517 3HD2 LEU 75 3HD2 LEU 75 -5.764 0.688 -8.244 518 H ASP 76 H ASP 76 -9.310 -0.967 -3.537 519 HA ASP 76 HA ASP 76 -12.055 -0.850 -4.308 520 2HB ASP 76 2HB ASP 76 -12.347 0.243 -2.031 521 H SER 77 H SER 77 -9.435 1.345 -4.257 522 HA SER 77 HA SER 77 -9.114 3.426 -5.056 523 2HB SER 77 2HB SER 77 -10.689 4.388 -6.625 524 HG SER 77 HG SER 77 -11.177 2.121 -7.709 525 H ASP 78 H ASP 78 -12.448 3.257 -3.782 526 HA ASP 78 HA ASP 78 -12.603 5.916 -2.952 527 2HB ASP 78 2HB ASP 78 -13.980 3.500 -1.769 528 H VAL 79 H VAL 79 -11.512 3.055 -1.168 529 HA VAL 79 HA VAL 79 -11.275 4.329 1.328 530 HB VAL 79 HB VAL 79 -9.891 1.855 0.281 531 1HG1 VAL 79 1HG1 VAL 79 -9.393 1.320 2.611 532 2HG1 VAL 79 2HG1 VAL 79 -10.080 2.863 3.121 533 3HG1 VAL 79 3HG1 VAL 79 -8.616 2.831 2.137 534 1HG2 VAL 79 1HG2 VAL 79 -12.331 2.303 1.990 535 2HG2 VAL 79 2HG2 VAL 79 -11.587 0.726 1.705 536 3HG2 VAL 79 3HG2 VAL 79 -12.280 1.632 0.358 537 H ILE 80 H ILE 80 -8.780 3.724 -1.194 538 HA ILE 80 HA ILE 80 -6.781 5.113 0.298 539 HB ILE 80 HB ILE 80 -6.010 3.555 -1.394 540 2HG1 ILE 80 2HG1 ILE 80 -5.372 6.421 -2.147 541 1HG2 ILE 80 1HG2 ILE 80 -6.302 3.973 -3.766 542 2HG2 ILE 80 2HG2 ILE 80 -7.298 5.381 -3.395 543 3HG2 ILE 80 3HG2 ILE 80 -7.853 3.766 -2.952 544 1HD1 ILE 80 1HD1 ILE 80 -3.422 6.178 -0.745 545 2HD1 ILE 80 2HD1 ILE 80 -3.942 4.558 -0.279 546 3HD1 ILE 80 3HD1 ILE 80 -4.901 5.962 0.189 547 H GLY 81 H GLY 81 -9.173 6.038 -2.110 548 1HA GLY 81 1HA GLY 81 -8.298 8.656 -2.599 549 2HA GLY 81 2HA GLY 81 -9.966 8.106 -2.712 550 H ALA 82 H ALA 82 -10.445 7.360 -0.102 551 HA ALA 82 HA ALA 82 -11.068 9.760 1.204 552 1HB ALA 82 1HB ALA 82 -12.261 7.676 1.630 553 2HB ALA 82 2HB ALA 82 -11.610 8.327 3.135 554 3HB ALA 82 3HB ALA 82 -10.809 6.970 2.341 555 H TYR 83 H TYR 83 -8.263 7.691 1.367 556 HA TYR 83 HA TYR 83 -7.131 9.025 3.670 557 2HB TYR 83 2HB TYR 83 -6.100 6.895 1.791 558 HD1 TYR 83 1HD TYR 83 -5.397 7.663 5.366 559 HD2 TYR 83 2HD TYR 83 -3.820 7.179 1.443 560 HE1 TYR 83 1HE TYR 83 -3.117 7.736 6.284 561 HE2 TYR 83 2HE TYR 83 -1.533 7.247 2.349 562 HH TYR 83 HH TYR 83 -0.301 7.929 4.259 563 H LEU 84 H LEU 84 -6.807 9.109 0.190 564 HA LEU 84 HA LEU 84 -4.447 10.808 0.325 565 2HB LEU 84 2HB LEU 84 -5.250 10.559 -2.346 566 HG LEU 84 HG LEU 84 -3.440 8.783 -2.496 567 1HD1 LEU 84 1HD1 LEU 84 -2.982 11.142 -2.911 568 2HD1 LEU 84 2HD1 LEU 84 -1.634 10.391 -2.062 569 3HD1 LEU 84 3HD1 LEU 84 -2.763 11.421 -1.184 570 1HD2 LEU 84 1HD2 LEU 84 -2.000 8.515 -0.549 571 2HD2 LEU 84 2HD2 LEU 84 -3.628 7.915 -0.231 572 3HD2 LEU 84 3HD2 LEU 84 -3.120 9.475 0.418 573 H SER 85 H SER 85 -7.465 11.547 0.883 574 HA SER 85 HA SER 85 -7.418 14.011 -0.719 575 2HB SER 85 2HB SER 85 -9.789 14.287 -0.041 576 HG SER 85 HG SER 85 -9.362 11.684 -1.095 Start of MODEL 8 1 HA MET 1 HA MET 1 0.577 32.268 5.772 2 2HB MET 1 2HB MET 1 1.112 32.658 2.819 3 2HG MET 1 2HG MET 1 -1.238 33.610 4.437 4 1HE MET 1 1HE MET 1 -0.765 36.119 3.628 5 2HE MET 1 2HE MET 1 -0.477 36.556 1.945 6 3HE MET 1 3HE MET 1 0.713 35.591 2.816 7 H ASN 2 H ASN 2 1.642 30.410 2.912 8 HA ASN 2 HA ASN 2 -0.681 28.818 2.766 9 2HB ASN 2 2HB ASN 2 0.940 29.108 0.887 10 1HD2 ASN 2 1HD2 ASN 2 2.396 26.637 0.265 11 2HD2 ASN 2 2HD2 ASN 2 3.953 26.809 0.992 12 H ASN 3 H ASN 3 -1.023 26.655 3.329 13 HA ASN 3 HA ASN 3 0.795 25.586 5.382 14 2HB ASN 3 2HB ASN 3 -1.454 26.268 6.274 15 1HD2 ASN 3 1HD2 ASN 3 -3.112 26.856 4.881 16 2HD2 ASN 3 2HD2 ASN 3 -4.245 25.701 4.248 17 H GLN 4 H GLN 4 1.365 23.443 5.226 18 HA GLN 4 HA GLN 4 0.149 21.742 3.230 19 2HB GLN 4 2HB GLN 4 1.721 23.002 1.856 20 2HG GLN 4 2HG GLN 4 3.902 21.953 3.646 21 1HE2 GLN 4 1HE2 GLN 4 5.059 21.103 1.922 22 2HE2 GLN 4 2HE2 GLN 4 5.788 22.105 0.716 23 H VAL 5 H VAL 5 1.146 19.555 3.242 24 HA VAL 5 HA VAL 5 2.285 18.937 5.888 25 HB VAL 5 HB VAL 5 1.126 16.743 5.766 26 1HG1 VAL 5 1HG1 VAL 5 -0.706 19.133 5.580 27 2HG1 VAL 5 2HG1 VAL 5 0.139 18.591 7.029 28 3HG1 VAL 5 3HG1 VAL 5 -1.109 17.577 6.305 29 1HG2 VAL 5 1HG2 VAL 5 -0.231 17.955 3.361 30 2HG2 VAL 5 2HG2 VAL 5 -0.717 16.458 4.157 31 3HG2 VAL 5 3HG2 VAL 5 0.855 16.566 3.361 32 H GLU 6 H GLU 6 3.058 16.469 5.717 33 HA GLU 6 HA GLU 6 5.169 16.521 3.726 34 2HB GLU 6 2HB GLU 6 5.598 16.000 6.145 35 2HG GLU 6 2HG GLU 6 4.245 13.392 5.498 36 HA PRO 7 HA PRO 7 3.332 13.458 1.092 37 2HB PRO 7 2HB PRO 7 5.263 13.512 -0.180 38 2HG PRO 7 2HG PRO 7 7.369 13.580 0.828 39 2HD PRO 7 2HD PRO 7 6.295 15.376 1.819 40 H ARG 8 H ARG 8 2.816 11.157 0.901 41 HA ARG 8 HA ARG 8 2.869 9.897 3.542 42 2HB ARG 8 2HB ARG 8 0.974 8.512 2.619 43 2HG ARG 8 2HG ARG 8 -0.713 10.347 2.540 44 2HD ARG 8 2HD ARG 8 1.335 10.317 4.746 45 HE ARG 8 HE ARG 8 -0.942 12.043 4.536 46 1HH1 ARG 8 1HH1 ARG 8 0.920 10.115 6.780 47 2HH1 ARG 8 2HH1 ARG 8 0.575 11.124 8.153 48 1HH2 ARG 8 1HH2 ARG 8 -1.425 13.379 6.331 49 2HH2 ARG 8 2HH2 ARG 8 -0.783 12.965 7.901 50 H LYS 9 H LYS 9 2.782 7.423 3.414 51 HA LYS 9 HA LYS 9 4.361 6.376 1.180 52 2HB LYS 9 2HB LYS 9 5.233 4.779 3.186 53 2HG LYS 9 2HG LYS 9 6.643 7.378 2.688 54 2HD LYS 9 2HD LYS 9 7.607 5.820 4.340 55 2HE LYS 9 2HE LYS 9 7.870 3.907 2.015 56 1HZ LYS 9 1HZ LYS 9 8.592 2.363 3.772 57 2HZ LYS 9 2HZ LYS 9 8.574 3.648 4.889 58 3HZ LYS 9 3HZ LYS 9 9.654 3.676 3.581 59 H LEU 10 H LEU 10 3.377 4.733 0.277 60 HA LEU 10 HA LEU 10 1.524 3.141 1.905 61 2HB LEU 10 2HB LEU 10 0.795 2.298 -0.426 62 HG LEU 10 HG LEU 10 0.210 5.159 0.342 63 1HD1 LEU 10 1HD1 LEU 10 -1.262 3.303 -1.520 64 2HD1 LEU 10 2HD1 LEU 10 -0.336 4.726 -1.996 65 3HD1 LEU 10 3HD1 LEU 10 -1.794 4.909 -1.021 66 1HD2 LEU 10 1HD2 LEU 10 -1.279 2.596 0.906 67 2HD2 LEU 10 2HD2 LEU 10 -1.799 4.220 1.358 68 3HD2 LEU 10 3HD2 LEU 10 -0.348 3.528 2.079 69 H VAL 11 H VAL 11 2.213 1.256 2.559 70 HA VAL 11 HA VAL 11 4.367 -0.066 1.067 71 HB VAL 11 HB VAL 11 3.338 -0.568 3.872 72 1HG1 VAL 11 1HG1 VAL 11 5.551 -1.992 2.388 73 2HG1 VAL 11 2HG1 VAL 11 3.960 -2.668 2.744 74 3HG1 VAL 11 3HG1 VAL 11 5.068 -2.269 4.061 75 1HG2 VAL 11 1HG2 VAL 11 5.576 0.132 4.559 76 2HG2 VAL 11 2HG2 VAL 11 4.758 1.409 3.660 77 3HG2 VAL 11 3HG2 VAL 11 6.008 0.440 2.876 78 H VAL 12 H VAL 12 3.902 -1.748 -0.153 79 HA VAL 12 HA VAL 12 1.281 -3.010 0.150 80 HB VAL 12 HB VAL 12 3.351 -3.406 -2.015 81 1HG1 VAL 12 1HG1 VAL 12 1.925 -5.346 -1.701 82 2HG1 VAL 12 2HG1 VAL 12 1.548 -4.539 -3.227 83 3HG1 VAL 12 3HG1 VAL 12 0.491 -4.326 -1.828 84 1HG2 VAL 12 1HG2 VAL 12 1.833 -2.105 -3.443 85 2HG2 VAL 12 2HG2 VAL 12 2.470 -1.154 -2.102 86 3HG2 VAL 12 3HG2 VAL 12 0.821 -1.776 -2.038 87 H TYR 13 H TYR 13 1.359 -4.485 1.728 88 HA TYR 13 HA TYR 13 3.644 -6.234 2.015 89 2HB TYR 13 2HB TYR 13 2.078 -7.383 3.719 90 HD1 TYR 13 1HD TYR 13 4.657 -6.598 4.063 91 HD2 TYR 13 2HD TYR 13 1.201 -4.321 5.045 92 HE1 TYR 13 1HE TYR 13 5.972 -5.325 5.705 93 HE2 TYR 13 2HE TYR 13 2.509 -3.036 6.684 94 HH TYR 13 HH TYR 13 5.852 -3.044 6.791 95 H GLY 14 H GLY 14 3.920 -7.682 0.493 96 1HA GLY 14 1HA GLY 14 1.557 -9.199 -0.410 97 2HA GLY 14 2HA GLY 14 2.803 -8.659 -1.530 98 H ARG 15 H ARG 15 2.773 -10.997 -1.990 99 HA ARG 15 HA ARG 15 5.045 -12.237 -0.867 100 2HB ARG 15 2HB ARG 15 3.519 -12.795 0.974 101 2HG ARG 15 2HG ARG 15 1.797 -14.002 -1.172 102 2HD ARG 15 2HD ARG 15 0.388 -14.742 0.800 103 HE ARG 15 HE ARG 15 2.928 -16.147 0.273 104 1HH1 ARG 15 1HH1 ARG 15 -0.516 -16.172 0.854 105 2HH1 ARG 15 2HH1 ARG 15 -0.711 -17.854 0.476 106 1HH2 ARG 15 1HH2 ARG 15 2.704 -18.390 -0.189 107 2HH2 ARG 15 2HH2 ARG 15 1.124 -19.119 -0.082 108 H GLU 16 H GLU 16 4.414 -14.857 -1.526 109 HA GLU 16 HA GLU 16 4.605 -15.137 -4.255 110 2HB GLU 16 2HB GLU 16 4.027 -17.427 -3.934 111 2HG GLU 16 2HG GLU 16 5.191 -16.371 -1.371 112 H GLY 17 H GLY 17 3.235 -14.259 -5.724 113 1HA GLY 17 1HA GLY 17 0.401 -14.835 -5.534 114 2HA GLY 17 2HA GLY 17 0.824 -13.137 -5.378 115 H CYS 18 H CYS 18 -0.636 -13.110 -7.303 116 HA CYS 18 HA CYS 18 0.850 -13.746 -9.758 117 2HB CYS 18 2HB CYS 18 -2.156 -13.656 -9.480 118 HG CYS 18 HG CYS 18 -0.089 -14.652 -11.995 119 H HIS 19 H HIS 19 -1.251 -12.410 -11.344 120 HA HIS 19 HA HIS 19 0.158 -10.090 -11.809 121 2HB HIS 19 2HB HIS 19 -1.155 -10.967 -13.571 122 HD1 HIS 19 1HD HIS 19 -2.876 -12.696 -13.899 123 HD2 HIS 19 2HD HIS 19 -4.232 -9.635 -11.428 124 HE1 HIS 19 1HE HIS 19 -5.284 -13.238 -13.386 125 H LEU 20 H LEU 20 -2.580 -10.443 -9.587 126 HA LEU 20 HA LEU 20 -3.379 -7.766 -9.523 127 2HB LEU 20 2HB LEU 20 -4.079 -8.299 -7.109 128 HG LEU 20 HG LEU 20 -5.140 -10.281 -9.110 129 1HD1 LEU 20 1HD1 LEU 20 -5.868 -10.474 -6.760 130 2HD1 LEU 20 2HD1 LEU 20 -7.185 -10.059 -7.855 131 3HD1 LEU 20 3HD1 LEU 20 -6.467 -8.812 -6.830 132 1HD2 LEU 20 1HD2 LEU 20 -6.705 -8.546 -9.835 133 2HD2 LEU 20 2HD2 LEU 20 -5.040 -8.082 -10.186 134 3HD2 LEU 20 3HD2 LEU 20 -5.885 -7.370 -8.812 135 H CYS 21 H CYS 21 -0.690 -9.330 -7.926 136 HA CYS 21 HA CYS 21 -0.160 -7.311 -6.033 137 2HB CYS 21 2HB CYS 21 1.836 -9.194 -7.306 138 HG CYS 21 HG CYS 21 2.877 -6.977 -5.630 139 H GLU 22 H GLU 22 0.996 -7.836 -9.348 140 HA GLU 22 HA GLU 22 2.676 -5.482 -9.202 141 2HB GLU 22 2HB GLU 22 3.548 -7.397 -10.390 142 2HG GLU 22 2HG GLU 22 1.316 -7.065 -12.375 143 H GLU 23 H GLU 23 -0.508 -6.300 -10.288 144 HA GLU 23 HA GLU 23 -0.918 -4.103 -12.024 145 2HB GLU 23 2HB GLU 23 -3.358 -4.420 -11.470 146 2HG GLU 23 2HG GLU 23 -2.065 -7.061 -12.052 147 H MET 24 H MET 24 -1.459 -4.536 -8.553 148 HA MET 24 HA MET 24 -2.434 -1.950 -8.046 149 2HB MET 24 2HB MET 24 -1.710 -2.376 -5.686 150 2HG MET 24 2HG MET 24 -3.105 -4.708 -6.985 151 1HE MET 24 1HE MET 24 -4.091 -2.521 -3.884 152 2HE MET 24 2HE MET 24 -2.337 -2.612 -3.725 153 3HE MET 24 3HE MET 24 -3.375 -3.436 -2.557 154 H ILE 25 H ILE 25 0.849 -3.264 -8.070 155 HA ILE 25 HA ILE 25 2.237 -0.995 -7.225 156 HB ILE 25 HB ILE 25 3.096 -3.126 -9.190 157 2HG1 ILE 25 2HG1 ILE 25 2.530 -3.927 -6.910 158 1HG2 ILE 25 1HG2 ILE 25 4.456 -1.147 -9.505 159 2HG2 ILE 25 2HG2 ILE 25 5.402 -2.395 -8.693 160 3HG2 ILE 25 3HG2 ILE 25 4.752 -1.041 -7.769 161 1HD1 ILE 25 1HD1 ILE 25 4.330 -5.087 -8.065 162 2HD1 ILE 25 2HD1 ILE 25 4.623 -5.011 -6.327 163 3HD1 ILE 25 3HD1 ILE 25 5.493 -3.933 -7.418 164 H ALA 26 H ALA 26 1.378 -2.008 -10.535 165 HA ALA 26 HA ALA 26 2.464 0.213 -11.862 166 1HB ALA 26 1HB ALA 26 1.817 -1.857 -12.999 167 2HB ALA 26 2HB ALA 26 1.073 -0.444 -13.745 168 3HB ALA 26 3HB ALA 26 0.121 -1.491 -12.694 169 H SER 27 H SER 27 -0.740 -0.345 -10.496 170 HA SER 27 HA SER 27 -1.986 1.981 -11.435 171 2HB SER 27 2HB SER 27 -3.603 1.597 -9.605 172 HG SER 27 HG SER 27 -2.730 -0.893 -10.666 173 H LEU 28 H LEU 28 -0.126 1.350 -8.483 174 HA LEU 28 HA LEU 28 -0.550 3.887 -7.314 175 2HB LEU 28 2HB LEU 28 1.383 3.308 -5.882 176 HG LEU 28 HG LEU 28 -0.426 0.919 -6.241 177 1HD1 LEU 28 1HD1 LEU 28 0.052 0.518 -3.882 178 2HD1 LEU 28 2HD1 LEU 28 1.165 1.884 -3.877 179 3HD1 LEU 28 3HD1 LEU 28 1.516 0.465 -4.861 180 1HD2 LEU 28 1HD2 LEU 28 -1.722 2.973 -5.975 181 2HD2 LEU 28 2HD2 LEU 28 -0.802 3.369 -4.522 182 3HD2 LEU 28 3HD2 LEU 28 -1.843 1.944 -4.547 183 H ARG 29 H ARG 29 1.782 2.704 -9.645 184 HA ARG 29 HA ARG 29 3.611 4.851 -9.528 185 2HB ARG 29 2HB ARG 29 4.282 4.173 -11.797 186 2HG ARG 29 2HG ARG 29 4.810 1.826 -11.429 187 2HD ARG 29 2HD ARG 29 5.913 2.025 -9.215 188 HE ARG 29 HE ARG 29 6.264 4.085 -11.245 189 1HH1 ARG 29 1HH1 ARG 29 7.490 2.540 -8.355 190 2HH1 ARG 29 2HH1 ARG 29 9.109 3.136 -8.555 191 1HH2 ARG 29 1HH2 ARG 29 8.403 4.872 -11.514 192 2HH2 ARG 29 2HH2 ARG 29 9.631 4.430 -10.366 193 H VAL 30 H VAL 30 0.603 4.384 -11.299 194 HA VAL 30 HA VAL 30 0.799 6.826 -12.773 195 HB VAL 30 HB VAL 30 -1.658 5.161 -12.197 196 1HG1 VAL 30 1HG1 VAL 30 -2.223 7.417 -12.900 197 2HG1 VAL 30 2HG1 VAL 30 -2.586 6.264 -14.184 198 3HG1 VAL 30 3HG1 VAL 30 -1.143 7.271 -14.287 199 1HG2 VAL 30 1HG2 VAL 30 0.255 5.103 -14.530 200 2HG2 VAL 30 2HG2 VAL 30 -1.271 4.223 -14.447 201 3HG2 VAL 30 3HG2 VAL 30 0.034 3.837 -13.323 202 H LEU 31 H LEU 31 -0.822 5.843 -9.780 203 HA LEU 31 HA LEU 31 -2.157 8.286 -9.326 204 2HB LEU 31 2HB LEU 31 -1.724 7.332 -6.806 205 HG LEU 31 HG LEU 31 -3.796 6.146 -8.649 206 1HD1 LEU 31 1HD1 LEU 31 -5.080 5.910 -6.575 207 2HD1 LEU 31 2HD1 LEU 31 -3.707 6.538 -5.661 208 3HD1 LEU 31 3HD1 LEU 31 -3.571 5.000 -6.516 209 1HD2 LEU 31 1HD2 LEU 31 -5.244 7.974 -7.872 210 2HD2 LEU 31 2HD2 LEU 31 -3.862 8.575 -8.789 211 3HD2 LEU 31 3HD2 LEU 31 -3.871 8.693 -7.029 212 H GLN 32 H GLN 32 1.096 7.203 -8.619 213 HA GLN 32 HA GLN 32 1.896 9.196 -6.846 214 2HB GLN 32 2HB GLN 32 4.196 8.800 -8.109 215 2HG GLN 32 2HG GLN 32 2.797 6.671 -6.504 216 1HE2 GLN 32 1HE2 GLN 32 4.203 5.149 -5.485 217 2HE2 GLN 32 2HE2 GLN 32 5.713 4.728 -6.213 218 H LYS 33 H LYS 33 1.280 9.392 -10.251 219 HA LYS 33 HA LYS 33 2.771 11.759 -10.749 220 2HB LYS 33 2HB LYS 33 1.501 11.905 -12.822 221 2HG LYS 33 2HG LYS 33 1.944 8.975 -12.410 222 2HD LYS 33 2HD LYS 33 2.863 9.149 -14.676 223 2HE LYS 33 2HE LYS 33 0.127 10.397 -14.403 224 1HZ LYS 33 1HZ LYS 33 1.242 8.872 -16.701 225 2HZ LYS 33 2HZ LYS 33 1.110 10.565 -16.655 226 3HZ LYS 33 3HZ LYS 33 -0.287 9.608 -16.598 227 H LYS 34 H LYS 34 -0.389 11.089 -9.471 228 HA LYS 34 HA LYS 34 -1.134 13.915 -9.541 229 2HB LYS 34 2HB LYS 34 -3.229 12.994 -8.343 230 2HG LYS 34 2HG LYS 34 -3.184 13.582 -10.775 231 2HD LYS 34 2HD LYS 34 -2.742 10.612 -11.078 232 2HE LYS 34 2HE LYS 34 -4.413 11.406 -12.647 233 1HZ LYS 34 1HZ LYS 34 -2.388 13.427 -13.450 234 2HZ LYS 34 2HZ LYS 34 -3.855 13.755 -12.663 235 3HZ LYS 34 3HZ LYS 34 -3.862 13.135 -14.242 236 H SER 35 H SER 35 -0.467 11.321 -7.251 237 HA SER 35 HA SER 35 0.059 13.287 -5.154 238 2HB SER 35 2HB SER 35 -1.345 12.041 -3.547 239 HG SER 35 HG SER 35 -3.362 12.691 -4.407 240 H TRP 36 H TRP 36 2.013 12.812 -4.379 241 HA TRP 36 HA TRP 36 3.220 10.263 -4.897 242 2HB TRP 36 2HB TRP 36 4.311 12.538 -3.232 243 HD1 TRP 36 HD TRP 36 5.901 11.046 -1.753 244 HE1 TRP 36 1HE TRP 36 7.939 9.563 -2.288 245 HE3 TRP 36 3HE TRP 36 5.422 10.841 -6.833 246 HZ2 TRP 36 2HZ TRP 36 9.168 8.456 -4.559 247 HZ3 TRP 36 3HZ TRP 36 7.072 9.543 -8.122 248 HH2 TRP 36 HH TRP 36 8.909 8.375 -7.007 249 H PHE 37 H PHE 37 3.296 8.572 -3.618 250 HA PHE 37 HA PHE 37 3.086 8.900 -0.724 251 2HB PHE 37 2HB PHE 37 0.846 8.362 -1.149 252 HD1 PHE 37 1HD PHE 37 2.499 5.453 -2.858 253 HD2 PHE 37 2HD PHE 37 -0.532 8.442 -2.958 254 HE1 PHE 37 1HE PHE 37 1.643 4.513 -4.958 255 HE2 PHE 37 2HE PHE 37 -1.395 7.501 -5.056 256 HZ PHE 37 HZ PHE 37 -0.303 5.536 -6.064 257 H GLU 38 H GLU 38 5.140 8.163 -2.813 258 HA GLU 38 HA GLU 38 6.894 6.745 -3.054 259 2HB GLU 38 2HB GLU 38 7.548 5.438 -0.994 260 2HG GLU 38 2HG GLU 38 7.764 7.469 0.511 261 H LEU 39 H LEU 39 7.503 4.258 -2.717 262 HA LEU 39 HA LEU 39 5.177 2.546 -2.693 263 2HB LEU 39 2HB LEU 39 7.036 2.463 -5.062 264 HG LEU 39 HG LEU 39 6.075 0.347 -5.037 265 1HD1 LEU 39 1HD1 LEU 39 3.742 -0.110 -4.451 266 2HD1 LEU 39 2HD1 LEU 39 3.488 1.606 -4.124 267 3HD1 LEU 39 3HD1 LEU 39 4.599 0.671 -3.122 268 1HD2 LEU 39 1HD2 LEU 39 5.648 1.476 -7.154 269 2HD2 LEU 39 2HD2 LEU 39 4.119 2.094 -6.523 270 3HD2 LEU 39 3HD2 LEU 39 4.341 0.359 -6.763 271 H GLU 40 H GLU 40 5.715 1.168 -1.179 272 HA GLU 40 HA GLU 40 8.391 -0.063 -1.303 273 2HB GLU 40 2HB GLU 40 6.798 0.469 1.214 274 2HG GLU 40 2HG GLU 40 9.591 -0.484 0.740 275 H VAL 41 H VAL 41 8.243 -2.133 -1.782 276 HA VAL 41 HA VAL 41 5.763 -3.579 -1.111 277 HB VAL 41 HB VAL 41 7.707 -4.188 -3.350 278 1HG1 VAL 41 1HG1 VAL 41 6.589 -6.180 -2.513 279 2HG1 VAL 41 2HG1 VAL 41 5.995 -5.764 -4.120 280 3HG1 VAL 41 3HG1 VAL 41 5.022 -5.394 -2.695 281 1HG2 VAL 41 1HG2 VAL 41 5.884 -3.441 -4.846 282 2HG2 VAL 41 2HG2 VAL 41 6.514 -2.144 -3.832 283 3HG2 VAL 41 3HG2 VAL 41 4.976 -2.908 -3.430 284 H ILE 42 H ILE 42 5.934 -5.223 0.277 285 HA ILE 42 HA ILE 42 8.636 -6.254 0.843 286 HB ILE 42 HB ILE 42 6.568 -5.506 2.918 287 2HG1 ILE 42 2HG1 ILE 42 7.679 -3.579 1.795 288 1HG2 ILE 42 1HG2 ILE 42 8.357 -6.005 4.538 289 2HG2 ILE 42 2HG2 ILE 42 9.375 -6.567 3.213 290 3HG2 ILE 42 3HG2 ILE 42 7.890 -7.430 3.606 291 1HD1 ILE 42 1HD1 ILE 42 8.560 -2.434 3.732 292 2HD1 ILE 42 2HD1 ILE 42 8.660 -3.966 4.609 293 3HD1 ILE 42 3HD1 ILE 42 7.088 -3.315 4.145 294 H ASN 43 H ASN 43 8.664 -8.361 0.465 295 HA ASN 43 HA ASN 43 6.393 -10.045 0.344 296 2HB ASN 43 2HB ASN 43 8.197 -11.890 0.448 297 1HD2 ASN 43 1HD2 ASN 43 7.188 -12.473 -1.399 298 2HD2 ASN 43 2HD2 ASN 43 7.514 -11.731 -2.936 299 H ILE 44 H ILE 44 5.203 -10.629 2.031 300 HA ILE 44 HA ILE 44 6.339 -10.764 4.689 301 HB ILE 44 HB ILE 44 4.120 -11.281 5.478 302 2HG1 ILE 44 2HG1 ILE 44 3.538 -12.808 3.561 303 1HG2 ILE 44 1HG2 ILE 44 2.899 -9.313 4.671 304 2HG2 ILE 44 2HG2 ILE 44 4.044 -9.156 3.342 305 3HG2 ILE 44 3HG2 ILE 44 4.589 -8.950 5.006 306 1HD1 ILE 44 1HD1 ILE 44 1.475 -10.714 4.183 307 2HD1 ILE 44 2HD1 ILE 44 1.788 -12.176 5.120 308 3HD1 ILE 44 3HD1 ILE 44 1.164 -12.297 3.475 309 H ASP 45 H ASP 45 6.138 -12.850 2.078 310 HA ASP 45 HA ASP 45 5.769 -15.306 3.503 311 2HB ASP 45 2HB ASP 45 5.221 -15.230 1.146 312 H GLY 46 H GLY 46 8.369 -13.162 3.053 313 1HA GLY 46 1HA GLY 46 10.385 -15.174 3.699 314 2HA GLY 46 2HA GLY 46 10.687 -13.490 3.294 315 H ASN 47 H ASN 47 8.266 -13.166 5.337 316 HA ASN 47 HA ASN 47 9.920 -13.285 7.771 317 2HB ASN 47 2HB ASN 47 8.669 -11.204 8.521 318 1HD2 ASN 47 1HD2 ASN 47 9.133 -9.069 6.630 319 2HD2 ASN 47 2HD2 ASN 47 10.846 -8.937 6.450 320 H GLU 48 H GLU 48 9.047 -14.963 8.789 321 HA GLU 48 HA GLU 48 6.491 -15.975 8.475 322 2HB GLU 48 2HB GLU 48 6.910 -17.388 10.334 323 2HG GLU 48 2HG GLU 48 8.643 -17.430 8.381 324 H HIS 49 H HIS 49 7.595 -13.477 10.690 325 HA HIS 49 HA HIS 49 5.356 -13.587 12.428 326 2HB HIS 49 2HB HIS 49 6.847 -11.030 11.962 327 HD1 HIS 49 1HD HIS 49 7.495 -12.497 15.164 328 HD2 HIS 49 2HD HIS 49 4.336 -10.379 13.480 329 HE1 HIS 49 1HE HIS 49 6.129 -11.656 17.104 330 H LEU 50 H LEU 50 6.034 -11.806 9.464 331 HA LEU 50 HA LEU 50 3.619 -10.264 9.573 332 2HB LEU 50 2HB LEU 50 4.166 -9.743 7.178 333 HG LEU 50 HG LEU 50 6.524 -9.350 9.021 334 1HD1 LEU 50 1HD1 LEU 50 5.623 -7.838 6.577 335 2HD1 LEU 50 2HD1 LEU 50 7.007 -8.930 6.661 336 3HD1 LEU 50 3HD1 LEU 50 7.004 -7.434 7.599 337 1HD2 LEU 50 1HD2 LEU 50 4.472 -8.533 10.048 338 2HD2 LEU 50 2HD2 LEU 50 4.079 -7.637 8.581 339 3HD2 LEU 50 3HD2 LEU 50 5.492 -7.187 9.538 340 H THR 51 H THR 51 4.539 -13.398 8.412 341 HA THR 51 HA THR 51 2.323 -13.906 6.731 342 HB THR 51 HB THR 51 3.651 -15.991 8.460 343 HG1 THR 51 1HG THR 51 4.748 -14.448 6.417 344 1HG2 THR 51 1HG2 THR 51 2.495 -16.067 5.670 345 2HG2 THR 51 2HG2 THR 51 1.769 -16.758 7.121 346 3HG2 THR 51 3HG2 THR 51 3.275 -17.422 6.489 347 H ARG 52 H ARG 52 2.793 -13.980 10.184 348 HA ARG 52 HA ARG 52 0.323 -15.334 10.778 349 2HB ARG 52 2HB ARG 52 0.872 -14.678 13.135 350 2HG ARG 52 2HG ARG 52 3.043 -15.909 13.303 351 2HD ARG 52 2HD ARG 52 0.785 -17.071 11.687 352 HE ARG 52 HE ARG 52 2.602 -18.580 11.352 353 1HH1 ARG 52 1HH1 ARG 52 1.634 -18.229 14.712 354 2HH1 ARG 52 2HH1 ARG 52 2.318 -19.749 15.188 355 1HH2 ARG 52 1HH2 ARG 52 3.493 -20.573 11.993 356 2HH2 ARG 52 2HH2 ARG 52 3.357 -21.088 13.652 357 H LEU 53 H LEU 53 1.454 -12.061 10.496 358 HA LEU 53 HA LEU 53 -0.859 -10.867 11.704 359 2HB LEU 53 2HB LEU 53 0.153 -8.748 10.773 360 HG LEU 53 HG LEU 53 1.909 -10.488 12.501 361 1HD1 LEU 53 1HD1 LEU 53 3.113 -8.448 13.078 362 2HD1 LEU 53 2HD1 LEU 53 2.169 -7.545 11.893 363 3HD1 LEU 53 3HD1 LEU 53 3.274 -8.813 11.358 364 1HD2 LEU 53 1HD2 LEU 53 0.043 -8.199 13.107 365 2HD2 LEU 53 2HD2 LEU 53 1.055 -9.039 14.286 366 3HD2 LEU 53 3HD2 LEU 53 -0.248 -9.903 13.467 367 H TYR 54 H TYR 54 -0.003 -11.932 8.527 368 HA TYR 54 HA TYR 54 -2.456 -10.708 7.478 369 2HB TYR 54 2HB TYR 54 -1.292 -10.084 5.390 370 HD1 TYR 54 1HD TYR 54 -2.256 -7.972 6.021 371 HD2 TYR 54 2HD TYR 54 1.308 -9.353 7.892 372 HE1 TYR 54 1HE TYR 54 -1.899 -5.739 6.983 373 HE2 TYR 54 2HE TYR 54 1.670 -7.127 8.868 374 HH TYR 54 HH TYR 54 -0.746 -4.718 8.871 375 H ASN 55 H ASN 55 0.205 -12.612 6.105 376 HA ASN 55 HA ASN 55 0.193 -14.216 4.485 377 2HB ASN 55 2HB ASN 55 -1.816 -15.540 6.305 378 1HD2 ASN 55 1HD2 ASN 55 -1.828 -17.797 6.171 379 2HD2 ASN 55 2HD2 ASN 55 -1.195 -18.638 4.799 380 H ASP 56 H ASP 56 -3.182 -14.811 5.382 381 HA ASP 56 HA ASP 56 -3.809 -14.857 2.530 382 2HB ASP 56 2HB ASP 56 -5.674 -15.641 4.769 383 H ARG 57 H ARG 57 -3.382 -12.325 3.309 384 HA ARG 57 HA ARG 57 -5.950 -11.111 2.793 385 2HB ARG 57 2HB ARG 57 -4.377 -9.993 5.092 386 2HG ARG 57 2HG ARG 57 -7.354 -10.038 4.657 387 2HD ARG 57 2HD ARG 57 -7.498 -8.491 6.386 388 HE ARG 57 HE ARG 57 -5.283 -10.222 7.285 389 1HH1 ARG 57 1HH1 ARG 57 -8.548 -9.015 7.604 390 2HH1 ARG 57 2HH1 ARG 57 -8.883 -9.934 9.039 391 1HH2 ARG 57 1HH2 ARG 57 -5.688 -11.402 9.189 392 2HH2 ARG 57 2HH2 ARG 57 -7.239 -11.270 9.969 393 H VAL 58 H VAL 58 -3.568 -11.510 1.312 394 HA VAL 58 HA VAL 58 -1.715 -9.424 1.826 395 HB VAL 58 HB VAL 58 -0.751 -10.387 -0.462 396 1HG1 VAL 58 1HG1 VAL 58 -0.565 -11.692 2.240 397 2HG1 VAL 58 2HG1 VAL 58 0.390 -10.326 1.660 398 3HG1 VAL 58 3HG1 VAL 58 0.576 -11.913 0.914 399 1HG2 VAL 58 1HG2 VAL 58 -2.663 -11.870 -0.837 400 2HG2 VAL 58 2HG2 VAL 58 -2.320 -12.686 0.693 401 3HG2 VAL 58 3HG2 VAL 58 -1.159 -12.766 -0.632 402 HA PRO 59 HA PRO 59 -0.543 -7.224 -1.619 403 2HB PRO 59 2HB PRO 59 -1.629 -6.665 -3.623 404 2HG PRO 59 2HG PRO 59 -1.172 -8.839 -4.122 405 2HD PRO 59 2HD PRO 59 -0.643 -9.887 -2.166 406 H VAL 60 H VAL 60 -0.723 -6.514 0.633 407 HA VAL 60 HA VAL 60 -3.174 -5.129 1.403 408 HB VAL 60 HB VAL 60 -0.860 -5.312 3.266 409 1HG1 VAL 60 1HG1 VAL 60 -3.019 -4.342 3.942 410 2HG1 VAL 60 2HG1 VAL 60 -2.562 -5.747 4.906 411 3HG1 VAL 60 3HG1 VAL 60 -3.784 -5.909 3.646 412 1HG2 VAL 60 1HG2 VAL 60 -0.757 -7.492 2.225 413 2HG2 VAL 60 2HG2 VAL 60 -2.486 -7.728 2.492 414 3HG2 VAL 60 3HG2 VAL 60 -1.382 -7.630 3.868 415 H LEU 61 H LEU 61 -3.288 -2.994 0.951 416 HA LEU 61 HA LEU 61 -0.890 -1.379 0.876 417 2HB LEU 61 2HB LEU 61 -2.581 0.519 0.611 418 HG LEU 61 HG LEU 61 -2.782 -1.651 -1.474 419 1HD1 LEU 61 1HD1 LEU 61 -4.410 0.135 -1.746 420 2HD1 LEU 61 2HD1 LEU 61 -3.165 0.227 -2.993 421 3HD1 LEU 61 3HD1 LEU 61 -3.125 1.336 -1.623 422 1HD2 LEU 61 1HD2 LEU 61 -0.887 -0.482 -2.544 423 2HD2 LEU 61 2HD2 LEU 61 -0.449 -1.222 -1.005 424 3HD2 LEU 61 3HD2 LEU 61 -0.725 0.519 -1.100 425 H PHE 62 H PHE 62 0.047 -1.117 2.754 426 HA PHE 62 HA PHE 62 -1.530 -0.451 5.117 427 2HB PHE 62 2HB PHE 62 1.388 -1.130 4.716 428 HD1 PHE 62 1HD PHE 62 2.682 0.289 6.013 429 HD2 PHE 62 2HD PHE 62 -0.899 -1.344 7.627 430 HE1 PHE 62 1HE PHE 62 3.276 1.188 8.221 431 HE2 PHE 62 2HE PHE 62 -0.312 -0.451 9.840 432 HZ PHE 62 HZ PHE 62 1.774 0.819 10.140 433 H ALA 63 H ALA 63 -1.760 1.573 5.791 434 HA ALA 63 HA ALA 63 -0.446 3.708 4.366 435 1HB ALA 63 1HB ALA 63 -2.807 3.878 4.945 436 2HB ALA 63 2HB ALA 63 -1.871 5.184 5.672 437 3HB ALA 63 3HB ALA 63 -2.396 3.818 6.660 438 H VAL 64 H VAL 64 1.596 4.151 4.891 439 HA VAL 64 HA VAL 64 2.629 3.768 7.554 440 HB VAL 64 HB VAL 64 3.923 5.134 5.182 441 1HG1 VAL 64 1HG1 VAL 64 4.993 5.726 7.292 442 2HG1 VAL 64 2HG1 VAL 64 6.035 4.685 6.324 443 3HG1 VAL 64 3HG1 VAL 64 5.155 4.017 7.697 444 1HG2 VAL 64 1HG2 VAL 64 4.115 2.281 6.124 445 2HG2 VAL 64 2HG2 VAL 64 5.080 3.001 4.838 446 3HG2 VAL 64 3HG2 VAL 64 3.334 2.846 4.648 447 H ASN 65 H ASN 65 3.395 5.414 8.950 448 HA ASN 65 HA ASN 65 3.158 7.327 10.151 449 2HB ASN 65 2HB ASN 65 2.773 9.478 8.970 450 1HD2 ASN 65 1HD2 ASN 65 4.212 9.704 6.483 451 2HD2 ASN 65 2HD2 ASN 65 5.857 9.310 6.828 452 H GLU 66 H GLU 66 1.031 5.450 9.599 453 HA GLU 66 HA GLU 66 -1.240 7.022 10.503 454 2HB GLU 66 2HB GLU 66 -1.524 5.150 8.147 455 2HG GLU 66 2HG GLU 66 -3.566 5.647 9.455 456 H ASP 67 H ASP 67 -0.090 3.847 9.437 457 HA ASP 67 HA ASP 67 0.164 1.882 10.534 458 2HB ASP 67 2HB ASP 67 -1.076 2.891 13.057 459 H LYS 68 H LYS 68 -2.150 2.465 9.023 460 HA LYS 68 HA LYS 68 -3.798 0.313 10.030 461 2HB LYS 68 2HB LYS 68 -4.964 2.152 11.032 462 2HG LYS 68 2HG LYS 68 -4.090 3.826 9.162 463 2HD LYS 68 2HD LYS 68 -6.884 3.074 8.307 464 2HE LYS 68 2HE LYS 68 -6.787 4.980 6.789 465 1HZ LYS 68 1HZ LYS 68 -7.059 6.747 8.400 466 2HZ LYS 68 2HZ LYS 68 -6.302 5.822 9.598 467 3HZ LYS 68 3HZ LYS 68 -7.797 5.331 8.971 468 H GLU 69 H GLU 69 -5.548 -0.238 8.324 469 HA GLU 69 HA GLU 69 -4.013 -0.449 5.839 470 2HB GLU 69 2HB GLU 69 -5.466 -2.329 5.307 471 2HG GLU 69 2HG GLU 69 -4.613 -2.471 8.190 472 H LEU 70 H LEU 70 -5.023 -0.241 3.769 473 HA LEU 70 HA LEU 70 -7.427 1.465 3.783 474 2HB LEU 70 2HB LEU 70 -6.749 2.344 1.647 475 HG LEU 70 HG LEU 70 -4.297 2.338 3.400 476 1HD1 LEU 70 1HD1 LEU 70 -3.859 4.485 2.225 477 2HD1 LEU 70 2HD1 LEU 70 -5.178 4.090 1.116 478 3HD1 LEU 70 3HD1 LEU 70 -3.749 3.056 1.199 479 1HD2 LEU 70 1HD2 LEU 70 -5.128 4.430 4.292 480 2HD2 LEU 70 2HD2 LEU 70 -6.293 3.139 4.588 481 3HD2 LEU 70 3HD2 LEU 70 -6.579 4.307 3.298 482 H CYS 71 H CYS 71 -5.803 -0.867 1.621 483 HA CYS 71 HA CYS 71 -8.239 -2.401 1.354 484 2HB CYS 71 2HB CYS 71 -7.028 -0.954 -1.018 485 HG CYS 71 HG CYS 71 -7.762 -2.942 -2.522 486 H HIS 72 H HIS 72 -7.874 -4.463 0.317 487 HA HIS 72 HA HIS 72 -5.028 -5.115 -0.114 488 2HB HIS 72 2HB HIS 72 -5.026 -6.825 1.364 489 HD1 HIS 72 1HD HIS 72 -8.463 -7.033 2.517 490 HD2 HIS 72 2HD HIS 72 -5.149 -4.661 3.353 491 HE1 HIS 72 1HE HIS 72 -8.941 -5.955 4.741 492 H TYR 73 H TYR 73 -4.598 -6.670 -1.686 493 HA TYR 73 HA TYR 73 -4.887 -8.110 -3.421 494 2HB TYR 73 2HB TYR 73 -7.245 -8.952 -3.948 495 HD1 TYR 73 1HD TYR 73 -7.405 -9.015 -0.351 496 HD2 TYR 73 2HD TYR 73 -5.566 -10.796 -3.743 497 HE1 TYR 73 1HE TYR 73 -6.786 -10.959 1.016 498 HE2 TYR 73 2HE TYR 73 -4.940 -12.749 -2.389 499 HH TYR 73 HH TYR 73 -6.261 -13.357 0.662 500 H PHE 74 H PHE 74 -6.931 -5.297 -3.261 501 HA PHE 74 HA PHE 74 -6.679 -4.926 -6.134 502 2HB PHE 74 2HB PHE 74 -9.217 -4.137 -5.935 503 HD1 PHE 74 1HD PHE 74 -9.439 -7.601 -5.073 504 HD2 PHE 74 2HD PHE 74 -8.558 -4.911 -8.250 505 HE1 PHE 74 1HE PHE 74 -9.834 -9.401 -6.703 506 HE2 PHE 74 2HE PHE 74 -8.948 -6.707 -9.881 507 HZ PHE 74 HZ PHE 74 -9.591 -8.954 -9.110 508 H LEU 75 H LEU 75 -8.031 -2.655 -6.502 509 HA LEU 75 HA LEU 75 -6.805 -0.874 -4.502 510 2HB LEU 75 2HB LEU 75 -6.995 -0.370 -7.466 511 HG LEU 75 HG LEU 75 -6.757 1.644 -5.945 512 1HD1 LEU 75 1HD1 LEU 75 -4.014 0.490 -5.501 513 2HD1 LEU 75 2HD1 LEU 75 -5.305 0.500 -4.298 514 3HD1 LEU 75 3HD1 LEU 75 -4.636 2.022 -4.889 515 1HD2 LEU 75 1HD2 LEU 75 -4.971 2.627 -7.307 516 2HD2 LEU 75 2HD2 LEU 75 -6.129 1.718 -8.278 517 3HD2 LEU 75 3HD2 LEU 75 -4.554 1.022 -7.899 518 H ASP 76 H ASP 76 -8.397 0.077 -3.414 519 HA ASP 76 HA ASP 76 -10.864 0.824 -4.776 520 2HB ASP 76 2HB ASP 76 -10.166 1.391 -1.892 521 H SER 77 H SER 77 -10.460 2.529 -6.075 522 HA SER 77 HA SER 77 -8.562 4.529 -5.609 523 2HB SER 77 2HB SER 77 -9.560 5.686 -7.488 524 HG SER 77 HG SER 77 -9.190 4.129 -8.902 525 H ASP 78 H ASP 78 -11.908 4.279 -4.653 526 HA ASP 78 HA ASP 78 -12.352 7.026 -4.142 527 2HB ASP 78 2HB ASP 78 -13.770 4.728 -2.784 528 H VAL 79 H VAL 79 -11.492 4.304 -2.019 529 HA VAL 79 HA VAL 79 -11.428 5.841 0.352 530 HB VAL 79 HB VAL 79 -10.219 3.160 -0.314 531 1HG1 VAL 79 1HG1 VAL 79 -9.860 2.868 2.101 532 2HG1 VAL 79 2HG1 VAL 79 -10.326 4.548 2.365 533 3HG1 VAL 79 3HG1 VAL 79 -8.870 4.173 1.447 534 1HG2 VAL 79 1HG2 VAL 79 -12.642 3.229 -0.266 535 2HG2 VAL 79 2HG2 VAL 79 -12.614 4.017 1.311 536 3HG2 VAL 79 3HG2 VAL 79 -12.043 2.356 1.143 537 H ILE 80 H ILE 80 -8.749 4.744 -1.770 538 HA ILE 80 HA ILE 80 -6.787 6.097 -0.204 539 HB ILE 80 HB ILE 80 -6.129 4.234 -1.660 540 2HG1 ILE 80 2HG1 ILE 80 -4.852 6.891 -2.321 541 1HG2 ILE 80 1HG2 ILE 80 -6.681 6.097 -3.944 542 2HG2 ILE 80 2HG2 ILE 80 -7.636 4.676 -3.517 543 3HG2 ILE 80 3HG2 ILE 80 -5.965 4.489 -4.050 544 1HD1 ILE 80 1HD1 ILE 80 -3.136 6.184 -0.734 545 2HD1 ILE 80 2HD1 ILE 80 -4.096 4.748 -0.357 546 3HD1 ILE 80 3HD1 ILE 80 -4.721 6.356 0.021 547 H GLY 81 H GLY 81 -8.814 7.010 -2.918 548 1HA GLY 81 1HA GLY 81 -7.573 9.479 -3.510 549 2HA GLY 81 2HA GLY 81 -9.255 9.070 -3.829 550 H ALA 82 H ALA 82 -9.837 8.490 -1.045 551 HA ALA 82 HA ALA 82 -10.410 11.140 -0.113 552 1HB ALA 82 1HB ALA 82 -10.806 8.463 1.229 553 2HB ALA 82 2HB ALA 82 -11.986 9.313 0.233 554 3HB ALA 82 3HB ALA 82 -11.479 10.001 1.775 555 H TYR 83 H TYR 83 -8.137 8.594 0.723 556 HA TYR 83 HA TYR 83 -7.191 9.901 3.104 557 2HB TYR 83 2HB TYR 83 -6.238 7.485 1.559 558 HD1 TYR 83 1HD TYR 83 -5.874 8.796 5.053 559 HD2 TYR 83 2HD TYR 83 -3.972 7.112 1.636 560 HE1 TYR 83 1HE TYR 83 -3.752 8.680 6.292 561 HE2 TYR 83 2HE TYR 83 -1.850 6.990 2.865 562 HH TYR 83 HH TYR 83 -1.654 7.563 6.266 563 H LEU 84 H LEU 84 -5.755 9.205 -0.074 564 HA LEU 84 HA LEU 84 -3.366 10.687 0.525 565 2HB LEU 84 2HB LEU 84 -3.656 10.238 -2.273 566 HG LEU 84 HG LEU 84 -1.971 8.430 -1.940 567 1HD1 LEU 84 1HD1 LEU 84 -0.181 9.940 -1.171 568 2HD1 LEU 84 2HD1 LEU 84 -1.407 11.082 -0.619 569 3HD1 LEU 84 3HD1 LEU 84 -1.256 10.711 -2.336 570 1HD2 LEU 84 1HD2 LEU 84 -2.673 7.671 0.258 571 2HD2 LEU 84 2HD2 LEU 84 -2.200 9.220 0.956 572 3HD2 LEU 84 3HD2 LEU 84 -0.978 8.151 0.267 573 H SER 85 H SER 85 -6.321 11.239 -1.287 574 HA SER 85 HA SER 85 -7.172 12.987 -2.429 575 2HB SER 85 2HB SER 85 -6.940 15.167 -1.361 576 HG SER 85 HG SER 85 -7.113 12.938 0.375 Start of MODEL 9 1 HA MET 1 HA MET 1 6.718 27.282 4.910 2 2HB MET 1 2HB MET 1 6.083 30.180 5.507 3 2HG MET 1 2HG MET 1 8.074 28.366 6.856 4 1HE MET 1 1HE MET 1 9.237 29.241 9.092 5 2HE MET 1 2HE MET 1 7.712 29.867 9.722 6 3HE MET 1 3HE MET 1 9.134 30.907 9.665 7 H ASN 2 H ASN 2 3.614 28.957 5.038 8 HA ASN 2 HA ASN 2 2.916 28.457 7.692 9 2HB ASN 2 2HB ASN 2 1.034 28.496 5.320 10 1HD2 ASN 2 1HD2 ASN 2 -1.092 28.719 5.809 11 2HD2 ASN 2 2HD2 ASN 2 -1.730 28.618 7.414 12 H ASN 3 H ASN 3 2.186 26.506 4.800 13 HA ASN 3 HA ASN 3 1.544 24.270 6.601 14 2HB ASN 3 2HB ASN 3 0.287 23.310 4.675 15 1HD2 ASN 3 1HD2 ASN 3 -1.130 23.446 6.451 16 2HD2 ASN 3 2HD2 ASN 3 -2.242 24.767 6.612 17 H GLN 4 H GLN 4 3.464 23.278 6.873 18 HA GLN 4 HA GLN 4 5.192 22.730 4.623 19 2HB GLN 4 2HB GLN 4 5.332 21.656 7.449 20 2HG GLN 4 2HG GLN 4 7.450 21.808 5.317 21 1HE2 GLN 4 1HE2 GLN 4 7.210 19.546 7.930 22 2HE2 GLN 4 2HE2 GLN 4 8.601 20.086 8.799 23 H VAL 5 H VAL 5 3.785 21.589 3.282 24 HA VAL 5 HA VAL 5 2.541 19.170 4.233 25 HB VAL 5 HB VAL 5 1.640 18.980 1.950 26 1HG1 VAL 5 1HG1 VAL 5 1.360 21.720 3.175 27 2HG1 VAL 5 2HG1 VAL 5 0.458 20.281 3.648 28 3HG1 VAL 5 3HG1 VAL 5 0.229 20.978 2.044 29 1HG2 VAL 5 1HG2 VAL 5 3.603 20.004 0.814 30 2HG2 VAL 5 2HG2 VAL 5 3.076 21.576 1.416 31 3HG2 VAL 5 3HG2 VAL 5 2.056 20.678 0.291 32 H GLU 6 H GLU 6 3.188 17.186 3.922 33 HA GLU 6 HA GLU 6 5.442 16.679 2.119 34 2HB GLU 6 2HB GLU 6 6.492 15.265 3.839 35 2HG GLU 6 2HG GLU 6 5.853 18.011 4.898 36 HA PRO 7 HA PRO 7 3.097 13.400 0.573 37 2HB PRO 7 2HB PRO 7 4.897 12.905 -0.784 38 2HG PRO 7 2HG PRO 7 7.079 12.810 0.089 39 2HD PRO 7 2HD PRO 7 6.305 14.943 0.626 40 H ARG 8 H ARG 8 1.665 12.044 1.422 41 HA ARG 8 HA ARG 8 2.305 10.581 3.841 42 2HB ARG 8 2HB ARG 8 0.151 11.732 3.706 43 2HG ARG 8 2HG ARG 8 -0.787 9.729 1.694 44 2HD ARG 8 2HD ARG 8 -2.219 11.188 3.333 45 HE ARG 8 HE ARG 8 -1.081 13.264 1.982 46 1HH1 ARG 8 1HH1 ARG 8 -4.352 12.092 2.411 47 2HH1 ARG 8 2HH1 ARG 8 -5.083 13.643 2.098 48 1HH2 ARG 8 1HH2 ARG 8 -2.059 15.308 1.569 49 2HH2 ARG 8 2HH2 ARG 8 -3.787 15.451 1.627 50 H LYS 9 H LYS 9 2.614 8.371 3.910 51 HA LYS 9 HA LYS 9 3.372 7.334 1.280 52 2HB LYS 9 2HB LYS 9 4.212 6.492 4.053 53 2HG LYS 9 2HG LYS 9 5.457 5.772 1.419 54 2HD LYS 9 2HD LYS 9 6.173 4.873 4.198 55 2HE LYS 9 2HE LYS 9 7.592 4.591 1.553 56 1HZ LYS 9 1HZ LYS 9 9.049 4.788 3.518 57 2HZ LYS 9 2HZ LYS 9 9.171 3.292 2.739 58 3HZ LYS 9 3HZ LYS 9 8.297 3.421 4.188 59 H LEU 10 H LEU 10 3.016 5.154 0.689 60 HA LEU 10 HA LEU 10 0.991 3.691 2.254 61 2HB LEU 10 2HB LEU 10 0.221 2.718 0.102 62 HG LEU 10 HG LEU 10 0.058 5.728 0.047 63 1HD1 LEU 10 1HD1 LEU 10 -1.733 3.638 -1.175 64 2HD1 LEU 10 2HD1 LEU 10 -0.538 4.588 -2.058 65 3HD1 LEU 10 3HD1 LEU 10 -1.910 5.388 -1.295 66 1HD2 LEU 10 1HD2 LEU 10 -0.721 4.854 2.177 67 2HD2 LEU 10 2HD2 LEU 10 -1.747 3.689 1.341 68 3HD2 LEU 10 3HD2 LEU 10 -2.085 5.414 1.206 69 H VAL 11 H VAL 11 1.260 1.464 2.402 70 HA VAL 11 HA VAL 11 3.699 0.354 1.181 71 HB VAL 11 HB VAL 11 2.671 -0.166 3.978 72 1HG1 VAL 11 1HG1 VAL 11 4.408 -1.853 4.190 73 2HG1 VAL 11 2HG1 VAL 11 4.880 -1.604 2.508 74 3HG1 VAL 11 3HG1 VAL 11 3.295 -2.280 2.888 75 1HG2 VAL 11 1HG2 VAL 11 4.090 1.810 3.740 76 2HG2 VAL 11 2HG2 VAL 11 5.336 0.831 2.966 77 3HG2 VAL 11 3HG2 VAL 11 4.911 0.545 4.655 78 H VAL 12 H VAL 12 3.439 -1.535 0.138 79 HA VAL 12 HA VAL 12 0.802 -2.828 0.344 80 HB VAL 12 HB VAL 12 2.811 -2.966 -1.901 81 1HG1 VAL 12 1HG1 VAL 12 0.080 -4.212 -1.678 82 2HG1 VAL 12 2HG1 VAL 12 1.621 -5.068 -1.646 83 3HG1 VAL 12 3HG1 VAL 12 1.107 -4.232 -3.113 84 1HG2 VAL 12 1HG2 VAL 12 1.659 -0.824 -1.797 85 2HG2 VAL 12 2HG2 VAL 12 0.106 -1.661 -1.807 86 3HG2 VAL 12 3HG2 VAL 12 1.167 -1.755 -3.213 87 H TYR 13 H TYR 13 0.774 -4.642 1.473 88 HA TYR 13 HA TYR 13 3.233 -6.200 1.786 89 2HB TYR 13 2HB TYR 13 1.892 -7.499 3.461 90 HD1 TYR 13 1HD TYR 13 0.413 -4.335 4.301 91 HD2 TYR 13 2HD TYR 13 4.037 -6.560 4.432 92 HE1 TYR 13 1HE TYR 13 1.272 -2.824 6.038 93 HE2 TYR 13 2HE TYR 13 4.905 -5.056 6.172 94 HH TYR 13 HH TYR 13 2.929 -2.848 7.836 95 H GLY 14 H GLY 14 3.590 -7.801 0.403 96 1HA GLY 14 1HA GLY 14 1.283 -9.352 -0.560 97 2HA GLY 14 2HA GLY 14 2.393 -8.655 -1.734 98 H ARG 15 H ARG 15 2.455 -11.054 -2.260 99 HA ARG 15 HA ARG 15 4.918 -12.086 -1.177 100 2HB ARG 15 2HB ARG 15 3.388 -13.092 0.401 101 2HG ARG 15 2HG ARG 15 1.874 -14.084 -1.996 102 2HD ARG 15 2HD ARG 15 0.424 -15.198 -0.291 103 HE ARG 15 HE ARG 15 2.881 -16.200 -1.218 104 1HH1 ARG 15 1HH1 ARG 15 0.561 -16.818 1.324 105 2HH1 ARG 15 2HH1 ARG 15 0.882 -18.521 1.391 106 1HH2 ARG 15 1HH2 ARG 15 3.312 -18.441 -1.150 107 2HH2 ARG 15 2HH2 ARG 15 2.449 -19.450 -0.029 108 H GLU 16 H GLU 16 5.137 -14.454 -2.296 109 HA GLU 16 HA GLU 16 5.219 -13.832 -5.102 110 2HB GLU 16 2HB GLU 16 6.375 -15.987 -5.288 111 2HG GLU 16 2HG GLU 16 7.268 -14.329 -2.940 112 H GLY 17 H GLY 17 4.348 -15.182 -6.769 113 1HA GLY 17 1HA GLY 17 2.753 -16.538 -7.747 114 2HA GLY 17 2HA GLY 17 2.294 -17.098 -6.144 115 H CYS 18 H CYS 18 2.401 -13.717 -7.047 116 HA CYS 18 HA CYS 18 -0.503 -13.651 -7.352 117 2HB CYS 18 2HB CYS 18 -0.705 -11.769 -5.754 118 HG CYS 18 HG CYS 18 -0.152 -14.884 -4.862 119 H HIS 19 H HIS 19 -0.274 -13.041 -9.491 120 HA HIS 19 HA HIS 19 1.348 -10.827 -10.291 121 2HB HIS 19 2HB HIS 19 -0.059 -10.933 -12.407 122 HD1 HIS 19 1HD HIS 19 2.790 -11.424 -12.117 123 HD2 HIS 19 2HD HIS 19 0.143 -14.596 -12.639 124 HE1 HIS 19 1HE HIS 19 4.172 -13.332 -13.007 125 H LEU 20 H LEU 20 -1.859 -11.257 -9.105 126 HA LEU 20 HA LEU 20 -3.112 -8.880 -9.802 127 2HB LEU 20 2HB LEU 20 -3.421 -10.100 -7.074 128 HG LEU 20 HG LEU 20 -5.874 -10.015 -7.639 129 1HD1 LEU 20 1HD1 LEU 20 -4.465 -7.356 -7.560 130 2HD1 LEU 20 2HD1 LEU 20 -4.833 -8.366 -6.162 131 3HD1 LEU 20 3HD1 LEU 20 -6.144 -7.671 -7.118 132 1HD2 LEU 20 1HD2 LEU 20 -6.582 -8.480 -9.403 133 2HD2 LEU 20 2HD2 LEU 20 -5.678 -9.851 -10.050 134 3HD2 LEU 20 3HD2 LEU 20 -4.899 -8.276 -9.894 135 H CYS 21 H CYS 21 -0.734 -9.543 -7.310 136 HA CYS 21 HA CYS 21 -0.962 -7.073 -5.932 137 2HB CYS 21 2HB CYS 21 1.445 -8.903 -6.087 138 HG CYS 21 HG CYS 21 1.108 -6.091 -4.541 139 H GLU 22 H GLU 22 0.976 -8.202 -8.648 140 HA GLU 22 HA GLU 22 2.604 -5.882 -8.876 141 2HB GLU 22 2HB GLU 22 3.219 -6.743 -11.057 142 2HG GLU 22 2HG GLU 22 2.809 -9.028 -9.137 143 H GLU 23 H GLU 23 -0.520 -6.835 -10.120 144 HA GLU 23 HA GLU 23 -0.909 -4.729 -11.945 145 2HB GLU 23 2HB GLU 23 -3.310 -5.262 -11.717 146 2HG GLU 23 2HG GLU 23 -1.626 -7.758 -11.718 147 H MET 24 H MET 24 -1.500 -5.013 -8.487 148 HA MET 24 HA MET 24 -2.689 -2.477 -8.120 149 2HB MET 24 2HB MET 24 -1.944 -2.651 -5.767 150 2HG MET 24 2HG MET 24 -2.951 -5.304 -6.764 151 1HE MET 24 1HE MET 24 -4.409 -2.884 -4.018 152 2HE MET 24 2HE MET 24 -2.668 -2.635 -3.859 153 3HE MET 24 3HE MET 24 -3.565 -3.445 -2.573 154 H ILE 25 H ILE 25 0.678 -3.560 -8.052 155 HA ILE 25 HA ILE 25 1.932 -1.197 -7.308 156 HB ILE 25 HB ILE 25 2.910 -3.312 -9.233 157 2HG1 ILE 25 2HG1 ILE 25 2.349 -4.123 -6.971 158 1HG2 ILE 25 1HG2 ILE 25 4.474 -1.172 -7.797 159 2HG2 ILE 25 2HG2 ILE 25 4.173 -1.256 -9.533 160 3HG2 ILE 25 3HG2 ILE 25 5.167 -2.487 -8.752 161 1HD1 ILE 25 1HD1 ILE 25 4.498 -5.082 -6.322 162 2HD1 ILE 25 2HD1 ILE 25 5.316 -3.988 -7.436 163 3HD1 ILE 25 3HD1 ILE 25 4.217 -5.218 -8.059 164 H ALA 26 H ALA 26 1.139 -2.340 -10.592 165 HA ALA 26 HA ALA 26 2.152 -0.123 -11.984 166 1HB ALA 26 1HB ALA 26 1.600 -2.247 -13.062 167 2HB ALA 26 2HB ALA 26 0.800 -0.895 -13.866 168 3HB ALA 26 3HB ALA 26 -0.116 -1.950 -12.785 169 H SER 27 H SER 27 -1.032 -0.766 -10.613 170 HA SER 27 HA SER 27 -2.353 1.499 -11.624 171 2HB SER 27 2HB SER 27 -3.993 1.072 -9.820 172 HG SER 27 HG SER 27 -3.056 -1.430 -10.771 173 H LEU 28 H LEU 28 -0.511 0.961 -8.659 174 HA LEU 28 HA LEU 28 -0.962 3.500 -7.512 175 2HB LEU 28 2HB LEU 28 1.391 2.790 -6.417 176 HG LEU 28 HG LEU 28 -0.620 2.946 -5.078 177 1HD1 LEU 28 1HD1 LEU 28 -2.239 1.142 -4.945 178 2HD1 LEU 28 2HD1 LEU 28 -1.374 0.254 -6.199 179 3HD1 LEU 28 3HD1 LEU 28 -2.165 1.782 -6.587 180 1HD2 LEU 28 1HD2 LEU 28 0.728 0.272 -4.780 181 2HD2 LEU 28 2HD2 LEU 28 -0.215 1.093 -3.535 182 3HD2 LEU 28 3HD2 LEU 28 1.294 1.804 -4.112 183 H ARG 29 H ARG 29 1.407 2.324 -9.821 184 HA ARG 29 HA ARG 29 3.203 4.492 -9.680 185 2HB ARG 29 2HB ARG 29 3.926 3.827 -11.945 186 2HG ARG 29 2HG ARG 29 4.609 1.571 -11.542 187 2HD ARG 29 2HD ARG 29 5.588 1.744 -9.328 188 HE ARG 29 HE ARG 29 5.551 4.344 -10.732 189 1HH1 ARG 29 1HH1 ARG 29 7.273 1.830 -9.006 190 2HH1 ARG 29 2HH1 ARG 29 8.836 2.552 -9.248 191 1HH2 ARG 29 1HH2 ARG 29 7.594 5.299 -11.049 192 2HH2 ARG 29 2HH2 ARG 29 9.013 4.528 -10.412 193 H VAL 30 H VAL 30 0.306 3.951 -11.621 194 HA VAL 30 HA VAL 30 0.461 6.344 -13.114 195 HB VAL 30 HB VAL 30 -1.994 4.715 -12.425 196 1HG1 VAL 30 1HG1 VAL 30 -3.008 5.779 -14.381 197 2HG1 VAL 30 2HG1 VAL 30 -1.554 6.750 -14.609 198 3HG1 VAL 30 3HG1 VAL 30 -2.551 6.984 -13.173 199 1HG2 VAL 30 1HG2 VAL 30 -0.287 3.403 -13.572 200 2HG2 VAL 30 2HG2 VAL 30 -0.170 4.635 -14.828 201 3HG2 VAL 30 3HG2 VAL 30 -1.658 3.705 -14.642 202 H LEU 31 H LEU 31 -1.231 5.515 -10.101 203 HA LEU 31 HA LEU 31 -2.480 8.014 -9.757 204 2HB LEU 31 2HB LEU 31 -2.279 7.236 -7.223 205 HG LEU 31 HG LEU 31 -4.015 5.692 -9.149 206 1HD1 LEU 31 1HD1 LEU 31 -5.491 5.452 -7.217 207 2HD1 LEU 31 2HD1 LEU 31 -4.314 6.301 -6.212 208 3HD1 LEU 31 3HD1 LEU 31 -3.909 4.732 -6.911 209 1HD2 LEU 31 1HD2 LEU 31 -4.315 8.070 -9.512 210 2HD2 LEU 31 2HD2 LEU 31 -4.489 8.341 -7.778 211 3HD2 LEU 31 3HD2 LEU 31 -5.710 7.418 -8.655 212 H GLN 32 H GLN 32 0.709 6.856 -8.886 213 HA GLN 32 HA GLN 32 1.518 8.898 -7.164 214 2HB GLN 32 2HB GLN 32 3.824 8.348 -8.420 215 2HG GLN 32 2HG GLN 32 2.380 6.470 -6.566 216 1HE2 GLN 32 1HE2 GLN 32 3.738 5.013 -5.428 217 2HE2 GLN 32 2HE2 GLN 32 5.199 4.437 -6.146 218 H LYS 33 H LYS 33 0.952 8.978 -10.551 219 HA LYS 33 HA LYS 33 2.631 11.265 -11.060 220 2HB LYS 33 2HB LYS 33 1.773 11.147 -13.321 221 2HG LYS 33 2HG LYS 33 2.160 8.327 -12.367 222 2HD LYS 33 2HD LYS 33 3.367 8.116 -14.495 223 2HE LYS 33 2HE LYS 33 0.569 9.178 -14.848 224 1HZ LYS 33 1HZ LYS 33 1.813 8.795 -16.911 225 2HZ LYS 33 2HZ LYS 33 0.498 7.740 -16.746 226 3HZ LYS 33 3HZ LYS 33 2.073 7.184 -16.449 227 H LYS 34 H LYS 34 -0.412 10.749 -9.768 228 HA LYS 34 HA LYS 34 -1.248 13.513 -10.343 229 2HB LYS 34 2HB LYS 34 -3.508 12.767 -9.594 230 2HG LYS 34 2HG LYS 34 -2.370 11.095 -11.823 231 2HD LYS 34 2HD LYS 34 -5.181 11.945 -11.152 232 2HE LYS 34 2HE LYS 34 -5.828 10.845 -13.237 233 1HZ LYS 34 1HZ LYS 34 -5.251 13.278 -13.182 234 2HZ LYS 34 2HZ LYS 34 -5.200 12.549 -14.711 235 3HZ LYS 34 3HZ LYS 34 -3.757 12.865 -13.877 236 H SER 35 H SER 35 -0.921 11.064 -7.855 237 HA SER 35 HA SER 35 -0.606 13.139 -5.811 238 2HB SER 35 2HB SER 35 -2.010 11.744 -4.268 239 HG SER 35 HG SER 35 -3.958 12.447 -5.108 240 H TRP 36 H TRP 36 1.372 12.805 -4.970 241 HA TRP 36 HA TRP 36 2.648 10.244 -5.264 242 2HB TRP 36 2HB TRP 36 3.691 12.678 -3.807 243 HD1 TRP 36 HD TRP 36 5.314 11.378 -2.185 244 HE1 TRP 36 1HE TRP 36 7.348 9.837 -2.568 245 HE3 TRP 36 3HE TRP 36 4.808 10.603 -7.213 246 HZ2 TRP 36 2HZ TRP 36 8.556 8.483 -4.700 247 HZ3 TRP 36 3HZ TRP 36 6.454 9.165 -8.355 248 HH2 TRP 36 HH TRP 36 8.292 8.131 -7.123 249 H PHE 37 H PHE 37 2.625 8.672 -3.862 250 HA PHE 37 HA PHE 37 2.302 9.270 -1.012 251 2HB PHE 37 2HB PHE 37 0.143 8.532 -1.524 252 HD1 PHE 37 1HD PHE 37 -0.953 8.483 -3.549 253 HD2 PHE 37 2HD PHE 37 1.942 5.485 -2.701 254 HE1 PHE 37 1HE PHE 37 -1.598 7.283 -5.593 255 HE2 PHE 37 2HE PHE 37 1.304 4.282 -4.742 256 HZ PHE 37 HZ PHE 37 -0.471 5.181 -6.197 257 H GLU 38 H GLU 38 4.538 8.476 -2.906 258 HA GLU 38 HA GLU 38 6.345 7.103 -2.987 259 2HB GLU 38 2HB GLU 38 6.966 5.934 -0.839 260 2HG GLU 38 2HG GLU 38 6.927 8.112 0.587 261 H LEU 39 H LEU 39 6.998 4.662 -2.497 262 HA LEU 39 HA LEU 39 4.722 2.895 -2.420 263 2HB LEU 39 2HB LEU 39 6.558 2.775 -4.804 264 HG LEU 39 HG LEU 39 5.737 0.597 -4.629 265 1HD1 LEU 39 1HD1 LEU 39 4.233 0.958 -2.735 266 2HD1 LEU 39 2HD1 LEU 39 3.435 0.032 -4.006 267 3HD1 LEU 39 3HD1 LEU 39 3.070 1.745 -3.800 268 1HD2 LEU 39 1HD2 LEU 39 3.665 2.101 -6.225 269 2HD2 LEU 39 2HD2 LEU 39 4.039 0.381 -6.368 270 3HD2 LEU 39 3HD2 LEU 39 5.248 1.587 -6.814 271 H GLU 40 H GLU 40 5.297 1.583 -0.841 272 HA GLU 40 HA GLU 40 7.933 0.300 -1.085 273 2HB GLU 40 2HB GLU 40 6.347 0.735 1.454 274 2HG GLU 40 2HG GLU 40 8.975 -0.568 0.908 275 H VAL 41 H VAL 41 7.776 -1.705 -1.744 276 HA VAL 41 HA VAL 41 5.290 -3.194 -1.210 277 HB VAL 41 HB VAL 41 7.431 -3.799 -3.268 278 1HG1 VAL 41 1HG1 VAL 41 4.688 -4.985 -2.853 279 2HG1 VAL 41 2HG1 VAL 41 6.228 -5.784 -2.535 280 3HG1 VAL 41 3HG1 VAL 41 5.777 -5.360 -4.187 281 1HG2 VAL 41 1HG2 VAL 41 5.784 -3.023 -4.928 282 2HG2 VAL 41 2HG2 VAL 41 6.279 -1.734 -3.829 283 3HG2 VAL 41 3HG2 VAL 41 4.717 -2.524 -3.616 284 H ILE 42 H ILE 42 5.463 -4.404 0.534 285 HA ILE 42 HA ILE 42 8.073 -5.602 1.158 286 HB ILE 42 HB ILE 42 5.781 -5.054 3.044 287 2HG1 ILE 42 2HG1 ILE 42 6.835 -2.987 2.243 288 1HG2 ILE 42 1HG2 ILE 42 8.596 -6.007 3.558 289 2HG2 ILE 42 2HG2 ILE 42 7.129 -6.972 3.712 290 3HG2 ILE 42 3HG2 ILE 42 7.402 -5.609 4.796 291 1HD1 ILE 42 1HD1 ILE 42 7.816 -3.628 5.007 292 2HD1 ILE 42 2HD1 ILE 42 6.205 -3.038 4.605 293 3HD1 ILE 42 3HD1 ILE 42 7.617 -2.022 4.306 294 H ASN 43 H ASN 43 8.182 -7.637 0.571 295 HA ASN 43 HA ASN 43 5.829 -9.283 0.314 296 2HB ASN 43 2HB ASN 43 7.484 -11.067 -0.328 297 1HD2 ASN 43 1HD2 ASN 43 6.144 -10.869 -2.106 298 2HD2 ASN 43 2HD2 ASN 43 6.499 -9.819 -3.426 299 H ILE 44 H ILE 44 4.978 -10.488 1.871 300 HA ILE 44 HA ILE 44 6.209 -10.690 4.431 301 HB ILE 44 HB ILE 44 4.360 -12.215 5.028 302 2HG1 ILE 44 2HG1 ILE 44 4.154 -13.298 2.793 303 1HG2 ILE 44 1HG2 ILE 44 3.516 -9.718 3.564 304 2HG2 ILE 44 2HG2 ILE 44 4.095 -9.806 5.228 305 3HG2 ILE 44 3HG2 ILE 44 2.564 -10.565 4.785 306 1HD1 ILE 44 1HD1 ILE 44 1.741 -13.464 2.698 307 2HD1 ILE 44 2HD1 ILE 44 1.591 -12.043 3.732 308 3HD1 ILE 44 3HD1 ILE 44 2.306 -13.525 4.369 309 H ASP 45 H ASP 45 6.023 -12.793 1.622 310 HA ASP 45 HA ASP 45 7.313 -15.029 2.747 311 2HB ASP 45 2HB ASP 45 8.237 -15.117 0.213 312 H GLY 46 H GLY 46 8.975 -14.552 4.037 313 1HA GLY 46 1HA GLY 46 11.523 -14.368 3.556 314 2HA GLY 46 2HA GLY 46 11.067 -12.738 3.070 315 H ASN 47 H ASN 47 8.916 -12.671 5.083 316 HA ASN 47 HA ASN 47 10.565 -12.380 7.511 317 2HB ASN 47 2HB ASN 47 8.989 -10.515 8.148 318 1HD2 ASN 47 1HD2 ASN 47 9.527 -9.790 4.811 319 2HD2 ASN 47 2HD2 ASN 47 10.956 -8.838 5.037 320 H GLU 48 H GLU 48 10.011 -13.953 8.839 321 HA GLU 48 HA GLU 48 7.654 -15.455 8.730 322 2HB GLU 48 2HB GLU 48 9.573 -15.021 11.023 323 2HG GLU 48 2HG GLU 48 7.514 -16.027 11.852 324 H HIS 49 H HIS 49 8.526 -12.678 10.752 325 HA HIS 49 HA HIS 49 6.266 -12.665 12.399 326 2HB HIS 49 2HB HIS 49 6.760 -10.100 12.477 327 HD1 HIS 49 1HD HIS 49 10.179 -10.793 12.931 328 HD2 HIS 49 2HD HIS 49 6.711 -11.964 14.911 329 HE1 HIS 49 1HE HIS 49 10.918 -11.520 15.222 330 H LEU 50 H LEU 50 6.762 -11.203 9.214 331 HA LEU 50 HA LEU 50 4.181 -9.957 9.193 332 2HB LEU 50 2HB LEU 50 4.666 -9.523 6.800 333 HG LEU 50 HG LEU 50 7.049 -8.871 8.521 334 1HD1 LEU 50 1HD1 LEU 50 7.308 -6.972 7.026 335 2HD1 LEU 50 2HD1 LEU 50 5.926 -7.522 6.078 336 3HD1 LEU 50 3HD1 LEU 50 7.398 -8.493 6.140 337 1HD2 LEU 50 1HD2 LEU 50 5.874 -6.780 9.027 338 2HD2 LEU 50 2HD2 LEU 50 4.998 -8.185 9.630 339 3HD2 LEU 50 3HD2 LEU 50 4.457 -7.374 8.162 340 H THR 51 H THR 51 5.508 -13.008 8.140 341 HA THR 51 HA THR 51 3.410 -13.858 6.467 342 HB THR 51 HB THR 51 5.177 -15.562 8.245 343 HG1 THR 51 1HG THR 51 6.232 -14.113 6.645 344 1HG2 THR 51 1HG2 THR 51 3.638 -16.285 5.745 345 2HG2 THR 51 2HG2 THR 51 3.226 -16.779 7.389 346 3HG2 THR 51 3HG2 THR 51 4.718 -17.353 6.642 347 H ARG 52 H ARG 52 3.936 -14.225 9.949 348 HA ARG 52 HA ARG 52 1.615 -15.722 10.515 349 2HB ARG 52 2HB ARG 52 2.007 -15.086 12.839 350 2HG ARG 52 2HG ARG 52 4.657 -15.342 12.811 351 2HD ARG 52 2HD ARG 52 3.198 -17.035 13.703 352 HE ARG 52 HE ARG 52 1.492 -17.568 12.219 353 1HH1 ARG 52 1HH1 ARG 52 4.604 -18.273 10.747 354 2HH1 ARG 52 2HH1 ARG 52 3.949 -19.417 9.610 355 1HH2 ARG 52 1HH2 ARG 52 0.634 -19.079 10.727 356 2HH2 ARG 52 2HH2 ARG 52 1.690 -19.867 9.601 357 H LEU 53 H LEU 53 2.164 -12.318 10.060 358 HA LEU 53 HA LEU 53 -0.320 -11.526 11.312 359 2HB LEU 53 2HB LEU 53 0.390 -9.239 10.523 360 HG LEU 53 HG LEU 53 2.334 -10.769 12.248 361 1HD1 LEU 53 1HD1 LEU 53 3.197 -8.602 12.945 362 2HD1 LEU 53 2HD1 LEU 53 2.153 -7.797 11.774 363 3HD1 LEU 53 3HD1 LEU 53 3.452 -8.851 11.218 364 1HD2 LEU 53 1HD2 LEU 53 0.125 -8.818 12.875 365 2HD2 LEU 53 2HD2 LEU 53 1.208 -9.563 14.054 366 3HD2 LEU 53 3HD2 LEU 53 0.077 -10.563 13.140 367 H TYR 54 H TYR 54 0.949 -11.705 7.978 368 HA TYR 54 HA TYR 54 -1.631 -10.589 7.079 369 2HB TYR 54 2HB TYR 54 -0.398 -9.640 5.153 370 HD1 TYR 54 1HD TYR 54 -1.542 -7.738 6.175 371 HD2 TYR 54 2HD TYR 54 2.117 -9.206 7.770 372 HE1 TYR 54 1HE TYR 54 -1.295 -5.675 7.485 373 HE2 TYR 54 2HE TYR 54 2.376 -7.146 9.090 374 HH TYR 54 HH TYR 54 -0.135 -4.928 9.539 375 H ASN 55 H ASN 55 0.053 -13.494 7.011 376 HA ASN 55 HA ASN 55 -0.436 -14.075 4.231 377 2HB ASN 55 2HB ASN 55 0.203 -16.100 6.375 378 1HD2 ASN 55 1HD2 ASN 55 0.972 -18.045 5.563 379 2HD2 ASN 55 2HD2 ASN 55 0.725 -18.518 3.917 380 H ASP 56 H ASP 56 -2.598 -13.561 4.099 381 HA ASP 56 HA ASP 56 -4.342 -15.671 3.834 382 2HB ASP 56 2HB ASP 56 -4.856 -14.120 6.393 383 H ARG 57 H ARG 57 -4.180 -12.349 4.920 384 HA ARG 57 HA ARG 57 -6.231 -11.566 2.966 385 2HB ARG 57 2HB ARG 57 -6.892 -10.974 5.194 386 2HG ARG 57 2HG ARG 57 -4.154 -9.758 5.508 387 2HD ARG 57 2HD ARG 57 -6.518 -9.726 7.379 388 HE ARG 57 HE ARG 57 -4.123 -9.884 8.363 389 1HH1 ARG 57 1HH1 ARG 57 -5.877 -6.930 7.660 390 2HH1 ARG 57 2HH1 ARG 57 -5.120 -6.017 8.937 391 1HH2 ARG 57 1HH2 ARG 57 -3.130 -8.706 10.045 392 2HH2 ARG 57 2HH2 ARG 57 -3.560 -7.040 10.309 393 H VAL 58 H VAL 58 -3.997 -11.935 1.654 394 HA VAL 58 HA VAL 58 -2.041 -9.916 2.079 395 HB VAL 58 HB VAL 58 -1.147 -10.935 -0.192 396 1HG1 VAL 58 1HG1 VAL 58 0.057 -10.964 1.846 397 2HG1 VAL 58 2HG1 VAL 58 0.050 -12.605 1.196 398 3HG1 VAL 58 3HG1 VAL 58 -1.018 -12.180 2.537 399 1HG2 VAL 58 1HG2 VAL 58 -3.099 -12.318 -0.615 400 2HG2 VAL 58 2HG2 VAL 58 -2.867 -13.143 0.927 401 3HG2 VAL 58 3HG2 VAL 58 -1.666 -13.309 -0.354 402 HA PRO 59 HA PRO 59 -0.950 -7.681 -1.327 403 2HB PRO 59 2HB PRO 59 -1.941 -7.207 -3.382 404 2HG PRO 59 2HG PRO 59 -1.473 -9.381 -3.836 405 2HD PRO 59 2HD PRO 59 -0.961 -10.357 -1.838 406 H VAL 60 H VAL 60 -1.182 -6.813 0.829 407 HA VAL 60 HA VAL 60 -3.688 -5.470 1.492 408 HB VAL 60 HB VAL 60 -1.430 -5.288 3.383 409 1HG1 VAL 60 1HG1 VAL 60 -4.299 -6.149 3.674 410 2HG1 VAL 60 2HG1 VAL 60 -3.661 -4.531 3.964 411 3HG1 VAL 60 3HG1 VAL 60 -3.169 -5.872 4.999 412 1HG2 VAL 60 1HG2 VAL 60 -1.620 -7.594 4.162 413 2HG2 VAL 60 2HG2 VAL 60 -1.015 -7.523 2.507 414 3HG2 VAL 60 3HG2 VAL 60 -2.695 -7.964 2.812 415 H LEU 61 H LEU 61 -3.944 -3.321 1.324 416 HA LEU 61 HA LEU 61 -1.557 -1.710 0.767 417 2HB LEU 61 2HB LEU 61 -4.415 -0.838 0.397 418 HG LEU 61 HG LEU 61 -3.351 0.376 -1.607 419 1HD1 LEU 61 1HD1 LEU 61 -2.801 2.311 -0.246 420 2HD1 LEU 61 2HD1 LEU 61 -2.722 1.290 1.189 421 3HD1 LEU 61 3HD1 LEU 61 -4.256 1.510 0.347 422 1HD2 LEU 61 1HD2 LEU 61 -1.016 0.969 -1.377 423 2HD2 LEU 61 2HD2 LEU 61 -1.177 -0.787 -1.476 424 3HD2 LEU 61 3HD2 LEU 61 -0.883 -0.011 0.082 425 H PHE 62 H PHE 62 -0.724 -0.824 2.491 426 HA PHE 62 HA PHE 62 -2.422 -0.232 4.806 427 2HB PHE 62 2HB PHE 62 0.556 -0.648 4.513 428 HD1 PHE 62 1HD PHE 62 1.696 0.924 5.767 429 HD2 PHE 62 2HD PHE 62 -1.801 -0.888 7.376 430 HE1 PHE 62 1HE PHE 62 2.143 1.991 7.935 431 HE2 PHE 62 2HE PHE 62 -1.358 0.177 9.546 432 HZ PHE 62 HZ PHE 62 0.613 1.623 9.829 433 H ALA 63 H ALA 63 -2.478 1.748 5.781 434 HA ALA 63 HA ALA 63 -1.648 4.002 4.129 435 1HB ALA 63 1HB ALA 63 -3.148 5.301 5.548 436 2HB ALA 63 2HB ALA 63 -3.398 3.898 6.587 437 3HB ALA 63 3HB ALA 63 -3.965 3.872 4.918 438 H VAL 64 H VAL 64 0.346 4.820 4.522 439 HA VAL 64 HA VAL 64 1.405 4.692 7.262 440 HB VAL 64 HB VAL 64 2.933 5.448 4.763 441 1HG1 VAL 64 1HG1 VAL 64 4.900 4.951 6.135 442 2HG1 VAL 64 2HG1 VAL 64 3.851 4.603 7.510 443 3HG1 VAL 64 3HG1 VAL 64 3.921 6.236 6.846 444 1HG2 VAL 64 1HG2 VAL 64 3.813 3.183 4.751 445 2HG2 VAL 64 2HG2 VAL 64 2.056 3.163 4.580 446 3HG2 VAL 64 3HG2 VAL 64 2.797 2.765 6.130 447 H ASN 65 H ASN 65 0.258 6.321 8.119 448 HA ASN 65 HA ASN 65 1.421 8.815 8.339 449 2HB ASN 65 2HB ASN 65 -1.137 8.953 6.705 450 1HD2 ASN 65 1HD2 ASN 65 1.489 10.600 8.342 451 2HD2 ASN 65 2HD2 ASN 65 0.805 12.183 8.234 452 H GLU 66 H GLU 66 -1.707 7.234 8.106 453 HA GLU 66 HA GLU 66 -1.876 7.367 11.040 454 2HB GLU 66 2HB GLU 66 -4.223 7.180 9.131 455 2HG GLU 66 2HG GLU 66 -4.314 7.869 12.047 456 H ASP 67 H ASP 67 -1.155 5.440 11.623 457 HA ASP 67 HA ASP 67 -0.828 3.192 10.098 458 2HB ASP 67 2HB ASP 67 -1.223 3.216 13.094 459 H LYS 68 H LYS 68 -2.662 2.748 8.965 460 HA LYS 68 HA LYS 68 -4.378 0.805 10.223 461 2HB LYS 68 2HB LYS 68 -5.592 2.922 10.683 462 2HG LYS 68 2HG LYS 68 -5.702 3.174 7.680 463 2HD LYS 68 2HD LYS 68 -7.115 4.810 9.781 464 2HE LYS 68 2HE LYS 68 -8.369 5.680 7.800 465 1HZ LYS 68 1HZ LYS 68 -6.631 7.180 7.075 466 2HZ LYS 68 2HZ LYS 68 -5.449 6.199 7.786 467 3HZ LYS 68 3HZ LYS 68 -6.591 6.991 8.759 468 H GLU 69 H GLU 69 -5.540 -0.470 8.660 469 HA GLU 69 HA GLU 69 -4.322 -0.414 6.020 470 2HB GLU 69 2HB GLU 69 -5.256 -2.583 5.692 471 2HG GLU 69 2HG GLU 69 -3.583 -2.214 7.771 472 H LEU 70 H LEU 70 -5.419 0.037 4.121 473 HA LEU 70 HA LEU 70 -8.030 1.303 4.452 474 2HB LEU 70 2HB LEU 70 -7.718 2.126 2.158 475 HG LEU 70 HG LEU 70 -5.188 2.631 3.717 476 1HD1 LEU 70 1HD1 LEU 70 -5.225 4.761 2.501 477 2HD1 LEU 70 2HD1 LEU 70 -6.633 4.208 1.595 478 3HD1 LEU 70 3HD1 LEU 70 -5.088 3.379 1.417 479 1HD2 LEU 70 1HD2 LEU 70 -7.165 3.042 5.107 480 2HD2 LEU 70 2HD2 LEU 70 -7.829 4.084 3.846 481 3HD2 LEU 70 3HD2 LEU 70 -6.342 4.543 4.680 482 H CYS 71 H CYS 71 -6.488 -1.035 2.253 483 HA CYS 71 HA CYS 71 -8.811 -2.723 2.308 484 2HB CYS 71 2HB CYS 71 -8.029 -1.454 -0.329 485 HG CYS 71 HG CYS 71 -9.647 -2.865 -1.753 486 H HIS 72 H HIS 72 -8.436 -4.551 0.592 487 HA HIS 72 HA HIS 72 -5.621 -5.056 0.108 488 2HB HIS 72 2HB HIS 72 -5.786 -6.105 2.243 489 HD1 HIS 72 1HD HIS 72 -7.652 -9.054 1.232 490 HD2 HIS 72 2HD HIS 72 -8.441 -5.570 3.349 491 HE1 HIS 72 1HE HIS 72 -9.747 -9.522 2.536 492 H TYR 73 H TYR 73 -5.237 -6.242 -1.652 493 HA TYR 73 HA TYR 73 -5.565 -7.233 -3.663 494 2HB TYR 73 2HB TYR 73 -7.739 -8.366 -4.190 495 HD1 TYR 73 1HD TYR 73 -6.106 -10.119 -4.446 496 HD2 TYR 73 2HD TYR 73 -7.455 -8.952 -0.580 497 HE1 TYR 73 1HE TYR 73 -5.172 -12.186 -3.502 498 HE2 TYR 73 2HE TYR 73 -6.521 -11.016 0.373 499 HH TYR 73 HH TYR 73 -4.443 -13.092 -1.410 500 H PHE 74 H PHE 74 -5.982 -6.435 -5.597 501 HA PHE 74 HA PHE 74 -6.715 -5.118 -7.275 502 2HB PHE 74 2HB PHE 74 -9.122 -4.487 -7.289 503 HD1 PHE 74 1HD PHE 74 -9.489 -7.363 -5.138 504 HD2 PHE 74 2HD PHE 74 -8.619 -6.101 -9.108 505 HE1 PHE 74 1HE PHE 74 -9.922 -9.641 -5.953 506 HE2 PHE 74 2HE PHE 74 -9.055 -8.380 -9.929 507 HZ PHE 74 HZ PHE 74 -9.699 -10.148 -8.350 508 H LEU 75 H LEU 75 -8.761 -2.895 -6.623 509 HA LEU 75 HA LEU 75 -7.204 -1.184 -4.916 510 2HB LEU 75 2HB LEU 75 -7.648 -0.239 -7.731 511 HG LEU 75 HG LEU 75 -7.044 1.469 -6.055 512 1HD1 LEU 75 1HD1 LEU 75 -4.492 -0.113 -5.757 513 2HD1 LEU 75 2HD1 LEU 75 -5.792 -0.068 -4.566 514 3HD1 LEU 75 3HD1 LEU 75 -4.900 1.406 -4.951 515 1HD2 LEU 75 1HD2 LEU 75 -4.832 0.850 -8.014 516 2HD2 LEU 75 2HD2 LEU 75 -5.163 2.416 -7.275 517 3HD2 LEU 75 3HD2 LEU 75 -6.327 1.706 -8.393 518 H ASP 76 H ASP 76 -8.695 -0.341 -3.678 519 HA ASP 76 HA ASP 76 -11.426 -0.134 -4.242 520 2HB ASP 76 2HB ASP 76 -10.591 -0.086 -1.955 521 H SER 77 H SER 77 -8.785 2.161 -4.562 522 HA SER 77 HA SER 77 -8.450 3.907 -5.954 523 2HB SER 77 2HB SER 77 -9.917 4.324 -7.840 524 HG SER 77 HG SER 77 -9.762 1.529 -7.303 525 H ASP 78 H ASP 78 -11.798 3.853 -4.723 526 HA ASP 78 HA ASP 78 -11.908 6.726 -4.644 527 2HB ASP 78 2HB ASP 78 -13.821 4.651 -3.559 528 H VAL 79 H VAL 79 -11.475 4.140 -2.265 529 HA VAL 79 HA VAL 79 -11.694 5.855 -0.002 530 HB VAL 79 HB VAL 79 -10.553 3.079 -0.303 531 1HG1 VAL 79 1HG1 VAL 79 -10.972 4.632 2.253 532 2HG1 VAL 79 2HG1 VAL 79 -9.407 4.236 1.544 533 3HG1 VAL 79 3HG1 VAL 79 -10.459 2.948 2.129 534 1HG2 VAL 79 1HG2 VAL 79 -13.090 4.156 0.909 535 2HG2 VAL 79 2HG2 VAL 79 -12.578 2.467 0.966 536 3HG2 VAL 79 3HG2 VAL 79 -12.943 3.228 -0.583 537 H ILE 80 H ILE 80 -8.911 4.394 -1.684 538 HA ILE 80 HA ILE 80 -6.981 5.845 -0.209 539 HB ILE 80 HB ILE 80 -6.382 3.869 -1.578 540 2HG1 ILE 80 2HG1 ILE 80 -4.943 6.443 -2.241 541 1HG2 ILE 80 1HG2 ILE 80 -7.738 4.294 -3.537 542 2HG2 ILE 80 2HG2 ILE 80 -6.039 4.111 -3.974 543 3HG2 ILE 80 3HG2 ILE 80 -6.765 5.717 -3.915 544 1HD1 ILE 80 1HD1 ILE 80 -3.429 5.787 -0.458 545 2HD1 ILE 80 2HD1 ILE 80 -4.449 4.390 -0.108 546 3HD1 ILE 80 3HD1 ILE 80 -5.072 6.023 0.131 547 H GLY 81 H GLY 81 -8.927 6.647 -3.015 548 1HA GLY 81 1HA GLY 81 -7.569 9.017 -3.759 549 2HA GLY 81 2HA GLY 81 -9.255 8.654 -4.107 550 H ALA 82 H ALA 82 -9.905 8.291 -1.281 551 HA ALA 82 HA ALA 82 -10.362 11.044 -0.567 552 1HB ALA 82 1HB ALA 82 -12.108 9.398 -0.196 553 2HB ALA 82 2HB ALA 82 -11.598 10.082 1.349 554 3HB ALA 82 3HB ALA 82 -11.050 8.472 0.866 555 H TYR 83 H TYR 83 -8.421 8.345 0.581 556 HA TYR 83 HA TYR 83 -7.417 9.650 2.904 557 2HB TYR 83 2HB TYR 83 -6.484 7.227 1.366 558 HD1 TYR 83 1HD TYR 83 -6.402 8.008 4.985 559 HD2 TYR 83 2HD TYR 83 -4.126 7.245 1.472 560 HE1 TYR 83 1HE TYR 83 -4.367 7.822 6.354 561 HE2 TYR 83 2HE TYR 83 -2.086 7.055 2.829 562 HH TYR 83 HH TYR 83 -1.223 7.707 4.969 563 H LEU 84 H LEU 84 -6.382 9.453 -0.422 564 HA LEU 84 HA LEU 84 -3.811 10.688 0.174 565 2HB LEU 84 2HB LEU 84 -4.143 10.478 -2.604 566 HG LEU 84 HG LEU 84 -2.689 8.414 -2.399 567 1HD1 LEU 84 1HD1 LEU 84 -1.777 10.915 -0.974 568 2HD1 LEU 84 2HD1 LEU 84 -1.799 10.687 -2.722 569 3HD1 LEU 84 3HD1 LEU 84 -0.735 9.702 -1.718 570 1HD2 LEU 84 1HD2 LEU 84 -3.444 7.694 -0.195 571 2HD2 LEU 84 2HD2 LEU 84 -2.771 9.159 0.520 572 3HD2 LEU 84 3HD2 LEU 84 -1.702 7.966 -0.219 573 H SER 85 H SER 85 -6.754 11.882 0.010 574 HA SER 85 HA SER 85 -6.241 14.147 -1.727 575 2HB SER 85 2HB SER 85 -8.564 13.793 0.187 576 HG SER 85 HG SER 85 -9.555 15.240 -1.098 Start of MODEL 10 1 HA MET 1 HA MET 1 -0.457 32.121 1.972 2 2HB MET 1 2HB MET 1 -2.482 33.169 3.024 3 2HG MET 1 2HG MET 1 -0.479 34.542 2.580 4 1HE MET 1 1HE MET 1 0.776 36.547 1.383 5 2HE MET 1 2HE MET 1 -0.729 37.465 1.352 6 3HE MET 1 3HE MET 1 0.227 37.290 -0.120 7 H ASN 2 H ASN 2 -0.519 29.842 1.469 8 HA ASN 2 HA ASN 2 -2.711 28.538 2.738 9 2HB ASN 2 2HB ASN 2 -2.348 28.022 -0.232 10 1HD2 ASN 2 1HD2 ASN 2 -3.509 26.380 -1.089 11 2HD2 ASN 2 2HD2 ASN 2 -4.335 25.186 -0.141 12 H ASN 3 H ASN 3 -2.272 26.232 2.996 13 HA ASN 3 HA ASN 3 0.582 25.641 2.670 14 2HB ASN 3 2HB ASN 3 -0.057 25.489 4.972 15 1HD2 ASN 3 1HD2 ASN 3 -1.339 24.799 6.673 16 2HD2 ASN 3 2HD2 ASN 3 -2.965 24.245 6.442 17 H GLN 4 H GLN 4 1.265 23.742 1.672 18 HA GLN 4 HA GLN 4 -0.854 22.325 0.214 19 2HB GLN 4 2HB GLN 4 0.865 23.438 -1.197 20 2HG GLN 4 2HG GLN 4 2.768 21.391 -0.080 21 1HE2 GLN 4 1HE2 GLN 4 3.507 24.502 -1.402 22 2HE2 GLN 4 2HE2 GLN 4 4.261 23.946 -2.857 23 H VAL 5 H VAL 5 -0.003 19.958 -0.336 24 HA VAL 5 HA VAL 5 0.060 18.703 2.236 25 HB VAL 5 HB VAL 5 -0.014 16.567 0.952 26 1HG1 VAL 5 1HG1 VAL 5 -2.085 18.647 0.270 27 2HG1 VAL 5 2HG1 VAL 5 -2.046 17.619 1.703 28 3HG1 VAL 5 3HG1 VAL 5 -2.305 16.903 0.113 29 1HG2 VAL 5 1HG2 VAL 5 -0.428 16.664 -1.467 30 2HG2 VAL 5 2HG2 VAL 5 1.177 17.269 -1.047 31 3HG2 VAL 5 3HG2 VAL 5 -0.118 18.402 -1.445 32 H GLU 6 H GLU 6 1.400 16.570 2.212 33 HA GLU 6 HA GLU 6 4.196 17.181 1.584 34 2HB GLU 6 2HB GLU 6 3.905 17.823 3.893 35 2HG GLU 6 2HG GLU 6 2.691 15.116 4.333 36 HA PRO 7 HA PRO 7 4.308 13.002 0.266 37 2HB PRO 7 2HB PRO 7 6.568 13.287 -0.130 38 2HG PRO 7 2HG PRO 7 7.948 14.302 1.450 39 2HD PRO 7 2HD PRO 7 6.301 15.915 1.273 40 H ARG 8 H ARG 8 3.244 11.258 0.905 41 HA ARG 8 HA ARG 8 3.227 10.544 3.741 42 2HB ARG 8 2HB ARG 8 1.265 9.226 3.234 43 2HG ARG 8 2HG ARG 8 -0.286 10.791 2.170 44 2HD ARG 8 2HD ARG 8 1.678 12.235 3.945 45 HE ARG 8 HE ARG 8 -0.942 12.973 3.012 46 1HH1 ARG 8 1HH1 ARG 8 1.350 13.279 5.634 47 2HH1 ARG 8 2HH1 ARG 8 0.669 14.750 6.241 48 1HH2 ARG 8 1HH2 ARG 8 -1.876 14.914 3.810 49 2HH2 ARG 8 2HH2 ARG 8 -1.164 15.690 5.203 50 H LYS 9 H LYS 9 2.829 7.866 3.762 51 HA LYS 9 HA LYS 9 4.733 6.656 1.906 52 2HB LYS 9 2HB LYS 9 5.433 5.179 3.974 53 2HG LYS 9 2HG LYS 9 6.662 7.900 3.958 54 2HD LYS 9 2HD LYS 9 7.538 6.105 5.434 55 2HE LYS 9 2HE LYS 9 8.171 4.724 2.822 56 1HZ LYS 9 1HZ LYS 9 8.736 3.754 5.564 57 2HZ LYS 9 2HZ LYS 9 9.885 4.570 4.624 58 3HZ LYS 9 3HZ LYS 9 9.261 3.089 4.092 59 H LEU 10 H LEU 10 3.761 5.101 0.904 60 HA LEU 10 HA LEU 10 1.749 3.495 2.322 61 2HB LEU 10 2HB LEU 10 1.274 2.672 -0.071 62 HG LEU 10 HG LEU 10 0.680 5.579 0.466 63 1HD1 LEU 10 1HD1 LEU 10 -0.751 3.550 -1.241 64 2HD1 LEU 10 2HD1 LEU 10 0.307 4.822 -1.847 65 3HD1 LEU 10 3HD1 LEU 10 -1.190 5.243 -1.022 66 1HD2 LEU 10 1HD2 LEU 10 -1.408 4.777 1.451 67 2HD2 LEU 10 2HD2 LEU 10 -0.016 4.160 2.341 68 3HD2 LEU 10 3HD2 LEU 10 -0.884 3.107 1.222 69 H VAL 11 H VAL 11 2.346 1.572 3.005 70 HA VAL 11 HA VAL 11 4.566 0.204 1.650 71 HB VAL 11 HB VAL 11 3.275 -0.295 4.335 72 1HG1 VAL 11 1HG1 VAL 11 5.443 -1.936 3.027 73 2HG1 VAL 11 2HG1 VAL 11 3.752 -2.422 3.133 74 3HG1 VAL 11 3HG1 VAL 11 4.706 -2.218 4.606 75 1HG2 VAL 11 1HG2 VAL 11 6.129 0.337 3.608 76 2HG2 VAL 11 2HG2 VAL 11 5.462 0.182 5.234 77 3HG2 VAL 11 3HG2 VAL 11 4.954 1.512 4.192 78 H VAL 12 H VAL 12 4.145 -1.427 0.339 79 HA VAL 12 HA VAL 12 1.428 -2.541 0.338 80 HB VAL 12 HB VAL 12 3.527 -2.785 -1.815 81 1HG1 VAL 12 1HG1 VAL 12 1.916 -4.588 -1.796 82 2HG1 VAL 12 2HG1 VAL 12 1.647 -3.542 -3.193 83 3HG1 VAL 12 3HG1 VAL 12 0.589 -3.426 -1.784 84 1HG2 VAL 12 1HG2 VAL 12 2.871 -0.457 -1.588 85 2HG2 VAL 12 2HG2 VAL 12 1.170 -0.915 -1.673 86 3HG2 VAL 12 3HG2 VAL 12 2.215 -1.146 -3.074 87 H TYR 13 H TYR 13 1.353 -4.271 1.626 88 HA TYR 13 HA TYR 13 3.553 -6.124 1.819 89 2HB TYR 13 2HB TYR 13 1.845 -7.517 3.101 90 HD1 TYR 13 1HD TYR 13 4.282 -6.578 4.006 91 HD2 TYR 13 2HD TYR 13 0.463 -4.837 4.706 92 HE1 TYR 13 1HE TYR 13 5.146 -5.518 6.047 93 HE2 TYR 13 2HE TYR 13 1.318 -3.767 6.745 94 HH TYR 13 HH TYR 13 3.126 -4.117 8.380 95 H GLY 14 H GLY 14 3.983 -7.464 0.231 96 1HA GLY 14 1HA GLY 14 1.722 -8.479 -1.380 97 2HA GLY 14 2HA GLY 14 3.290 -8.075 -2.074 98 H ARG 15 H ARG 15 2.652 -10.410 -2.774 99 HA ARG 15 HA ARG 15 4.249 -12.218 -1.161 100 2HB ARG 15 2HB ARG 15 1.617 -13.300 -1.979 101 2HG ARG 15 2HG ARG 15 2.436 -13.719 0.767 102 2HD ARG 15 2HD ARG 15 0.848 -14.992 -0.938 103 HE ARG 15 HE ARG 15 3.482 -16.147 -1.496 104 1HH1 ARG 15 1HH1 ARG 15 -0.008 -16.424 -1.797 105 2HH1 ARG 15 2HH1 ARG 15 0.070 -17.551 -3.119 106 1HH2 ARG 15 1HH2 ARG 15 3.582 -17.617 -3.226 107 2HH2 ARG 15 2HH2 ARG 15 2.118 -18.233 -3.930 108 H GLU 16 H GLU 16 5.539 -13.140 -2.571 109 HA GLU 16 HA GLU 16 5.272 -12.969 -5.348 110 2HB GLU 16 2HB GLU 16 7.091 -14.746 -5.357 111 2HG GLU 16 2HG GLU 16 8.793 -13.330 -4.296 112 H GLY 17 H GLY 17 3.697 -13.862 -6.470 113 1HA GLY 17 1HA GLY 17 3.086 -16.178 -7.344 114 2HA GLY 17 2HA GLY 17 2.692 -16.512 -5.661 115 H CYS 18 H CYS 18 1.810 -13.593 -5.478 116 HA CYS 18 HA CYS 18 -0.934 -14.071 -6.308 117 2HB CYS 18 2HB CYS 18 -1.451 -12.050 -5.037 118 HG CYS 18 HG CYS 18 0.740 -14.003 -3.276 119 H HIS 19 H HIS 19 -1.662 -13.453 -8.216 120 HA HIS 19 HA HIS 19 -0.074 -11.877 -9.980 121 2HB HIS 19 2HB HIS 19 -2.960 -12.702 -10.324 122 HD1 HIS 19 1HD HIS 19 0.226 -11.835 -12.246 123 HD2 HIS 19 2HD HIS 19 -3.902 -12.030 -12.767 124 HE1 HIS 19 1HE HIS 19 -0.209 -10.980 -14.571 125 H LEU 20 H LEU 20 -2.890 -11.178 -7.956 126 HA LEU 20 HA LEU 20 -3.406 -8.618 -9.046 127 2HB LEU 20 2HB LEU 20 -4.297 -8.212 -6.597 128 HG LEU 20 HG LEU 20 -5.656 -10.330 -8.268 129 1HD1 LEU 20 1HD1 LEU 20 -7.692 -9.454 -7.251 130 2HD1 LEU 20 2HD1 LEU 20 -6.746 -8.289 -6.326 131 3HD1 LEU 20 3HD1 LEU 20 -6.570 -10.016 -6.009 132 1HD2 LEU 20 1HD2 LEU 20 -5.829 -7.322 -8.482 133 2HD2 LEU 20 2HD2 LEU 20 -6.828 -8.477 -9.364 134 3HD2 LEU 20 3HD2 LEU 20 -5.092 -8.404 -9.668 135 H CYS 21 H CYS 21 -1.069 -9.778 -6.770 136 HA CYS 21 HA CYS 21 -0.384 -7.451 -5.420 137 2HB CYS 21 2HB CYS 21 1.448 -9.705 -6.273 138 HG CYS 21 HG CYS 21 3.493 -8.878 -4.971 139 H GLU 22 H GLU 22 0.883 -8.705 -8.496 140 HA GLU 22 HA GLU 22 2.731 -6.565 -8.852 141 2HB GLU 22 2HB GLU 22 3.064 -8.762 -9.884 142 2HG GLU 22 2HG GLU 22 0.789 -8.054 -11.714 143 H GLU 23 H GLU 23 -0.595 -7.123 -9.767 144 HA GLU 23 HA GLU 23 -0.766 -5.015 -11.676 145 2HB GLU 23 2HB GLU 23 -3.179 -5.378 -11.569 146 2HG GLU 23 2HG GLU 23 -1.826 -8.049 -11.308 147 H MET 24 H MET 24 -1.341 -5.295 -8.222 148 HA MET 24 HA MET 24 -2.476 -2.744 -7.795 149 2HB MET 24 2HB MET 24 -1.698 -3.005 -5.457 150 2HG MET 24 2HG MET 24 -2.718 -5.250 -4.961 151 1HE MET 24 1HE MET 24 -3.236 -2.289 -4.347 152 2HE MET 24 2HE MET 24 -4.011 -3.588 -3.444 153 3HE MET 24 3HE MET 24 -4.976 -2.246 -4.064 154 H ILE 25 H ILE 25 0.882 -3.886 -7.817 155 HA ILE 25 HA ILE 25 2.159 -1.565 -6.991 156 HB ILE 25 HB ILE 25 3.107 -3.587 -9.026 157 2HG1 ILE 25 2HG1 ILE 25 2.588 -4.522 -6.802 158 1HG2 ILE 25 1HG2 ILE 25 4.380 -1.558 -9.271 159 2HG2 ILE 25 2HG2 ILE 25 5.376 -2.777 -8.474 160 3HG2 ILE 25 3HG2 ILE 25 4.650 -1.474 -7.530 161 1HD1 ILE 25 1HD1 ILE 25 5.563 -4.322 -7.219 162 2HD1 ILE 25 2HD1 ILE 25 4.494 -5.490 -7.995 163 3HD1 ILE 25 3HD1 ILE 25 4.719 -5.528 -6.246 164 H ALA 26 H ALA 26 1.334 -2.544 -10.318 165 HA ALA 26 HA ALA 26 2.306 -0.257 -11.614 166 1HB ALA 26 1HB ALA 26 0.008 -2.022 -12.447 167 2HB ALA 26 2HB ALA 26 1.710 -2.325 -12.782 168 3HB ALA 26 3HB ALA 26 0.909 -0.926 -13.491 169 H SER 27 H SER 27 -0.840 -0.946 -10.183 170 HA SER 27 HA SER 27 -2.201 1.356 -11.029 171 2HB SER 27 2HB SER 27 -3.761 0.853 -9.179 172 HG SER 27 HG SER 27 -2.853 -1.624 -10.209 173 H LEU 28 H LEU 28 -0.275 0.707 -8.127 174 HA LEU 28 HA LEU 28 -0.675 3.224 -6.907 175 2HB LEU 28 2HB LEU 28 1.664 2.525 -5.852 176 HG LEU 28 HG LEU 28 0.608 1.118 -4.189 177 1HD1 LEU 28 1HD1 LEU 28 0.214 3.510 -4.032 178 2HD1 LEU 28 2HD1 LEU 28 -1.199 2.610 -3.477 179 3HD1 LEU 28 3HD1 LEU 28 -1.201 3.357 -5.074 180 1HD2 LEU 28 1HD2 LEU 28 -0.721 -0.295 -5.674 181 2HD2 LEU 28 2HD2 LEU 28 -1.787 1.068 -6.012 182 3HD2 LEU 28 3HD2 LEU 28 -1.708 0.397 -4.385 183 H ARG 29 H ARG 29 1.742 2.037 -9.191 184 HA ARG 29 HA ARG 29 3.595 4.116 -8.976 185 2HB ARG 29 2HB ARG 29 4.318 3.470 -11.260 186 2HG ARG 29 2HG ARG 29 4.727 1.068 -10.846 187 2HD ARG 29 2HD ARG 29 5.601 1.548 -8.355 188 HE ARG 29 HE ARG 29 6.850 1.530 -10.698 189 1HH1 ARG 29 1HH1 ARG 29 6.894 4.020 -8.215 190 2HH1 ARG 29 2HH1 ARG 29 8.557 4.426 -8.495 191 1HH2 ARG 29 1HH2 ARG 29 9.021 2.073 -11.048 192 2HH2 ARG 29 2HH2 ARG 29 9.777 3.311 -10.087 193 H VAL 30 H VAL 30 0.700 3.873 -11.006 194 HA VAL 30 HA VAL 30 1.174 6.290 -12.414 195 HB VAL 30 HB VAL 30 -1.453 4.855 -11.979 196 1HG1 VAL 30 1HG1 VAL 30 -0.650 6.915 -14.039 197 2HG1 VAL 30 2HG1 VAL 30 -1.771 7.160 -12.699 198 3HG1 VAL 30 3HG1 VAL 30 -2.184 6.042 -13.998 199 1HG2 VAL 30 1HG2 VAL 30 0.592 4.637 -14.194 200 2HG2 VAL 30 2HG2 VAL 30 -1.015 3.906 -14.226 201 3HG2 VAL 30 3HG2 VAL 30 0.166 3.390 -13.021 202 H LEU 31 H LEU 31 -0.672 5.514 -9.495 203 HA LEU 31 HA LEU 31 -1.764 8.135 -9.191 204 2HB LEU 31 2HB LEU 31 -1.394 6.547 -6.743 205 HG LEU 31 HG LEU 31 -3.971 7.359 -8.088 206 1HD1 LEU 31 1HD1 LEU 31 -4.925 7.047 -5.876 207 2HD1 LEU 31 2HD1 LEU 31 -3.346 6.577 -5.246 208 3HD1 LEU 31 3HD1 LEU 31 -4.159 5.563 -6.439 209 1HD2 LEU 31 1HD2 LEU 31 -4.015 9.248 -6.541 210 2HD2 LEU 31 2HD2 LEU 31 -2.628 9.346 -7.625 211 3HD2 LEU 31 3HD2 LEU 31 -2.408 8.815 -5.958 212 H GLN 32 H GLN 32 1.136 6.504 -8.145 213 HA GLN 32 HA GLN 32 2.056 8.291 -6.201 214 2HB GLN 32 2HB GLN 32 3.758 6.706 -8.126 215 2HG GLN 32 2HG GLN 32 4.222 7.348 -5.229 216 1HE2 GLN 32 1HE2 GLN 32 6.198 6.634 -4.422 217 2HE2 GLN 32 2HE2 GLN 32 7.088 5.363 -5.176 218 H LYS 33 H LYS 33 2.153 8.406 -9.674 219 HA LYS 33 HA LYS 33 4.039 10.502 -9.954 220 2HB LYS 33 2HB LYS 33 3.126 10.720 -12.227 221 2HG LYS 33 2HG LYS 33 3.312 7.804 -11.546 222 2HD LYS 33 2HD LYS 33 4.436 7.729 -13.740 223 2HE LYS 33 2HE LYS 33 1.686 8.972 -13.786 224 1HZ LYS 33 1HZ LYS 33 3.158 7.405 -15.837 225 2HZ LYS 33 2HZ LYS 33 2.576 8.995 -15.981 226 3HZ LYS 33 3HZ LYS 33 1.488 7.699 -15.891 227 H LYS 34 H LYS 34 0.609 10.365 -9.404 228 HA LYS 34 HA LYS 34 0.180 13.172 -9.946 229 2HB LYS 34 2HB LYS 34 -2.140 12.700 -9.387 230 2HG LYS 34 2HG LYS 34 -0.893 10.476 -10.991 231 2HD LYS 34 2HD LYS 34 -3.771 11.387 -10.937 232 2HE LYS 34 2HE LYS 34 -2.404 9.151 -12.430 233 1HZ LYS 34 1HZ LYS 34 -4.676 8.585 -11.897 234 2HZ LYS 34 2HZ LYS 34 -4.546 8.937 -13.550 235 3HZ LYS 34 3HZ LYS 34 -5.227 10.078 -12.496 236 H SER 35 H SER 35 0.202 11.015 -7.149 237 HA SER 35 HA SER 35 0.677 13.334 -5.414 238 2HB SER 35 2HB SER 35 -0.873 12.476 -3.738 239 HG SER 35 HG SER 35 -2.860 12.550 -5.106 240 H TRP 36 H TRP 36 2.535 13.010 -4.350 241 HA TRP 36 HA TRP 36 3.799 10.444 -4.501 242 2HB TRP 36 2HB TRP 36 4.778 12.892 -3.019 243 HD1 TRP 36 HD TRP 36 6.310 11.597 -1.289 244 HE1 TRP 36 1HE TRP 36 8.355 10.047 -1.543 245 HE3 TRP 36 3HE TRP 36 6.066 10.761 -6.328 246 HZ2 TRP 36 2HZ TRP 36 9.673 8.659 -3.600 247 HZ3 TRP 36 3HZ TRP 36 7.763 9.306 -7.365 248 HH2 TRP 36 HH TRP 36 9.533 8.277 -6.028 249 H PHE 37 H PHE 37 3.482 8.872 -3.166 250 HA PHE 37 HA PHE 37 3.152 9.442 -0.302 251 2HB PHE 37 2HB PHE 37 0.985 8.756 -0.858 252 HD1 PHE 37 1HD PHE 37 3.001 5.983 -2.383 253 HD2 PHE 37 2HD PHE 37 -0.340 8.602 -2.691 254 HE1 PHE 37 1HE PHE 37 2.383 4.936 -4.514 255 HE2 PHE 37 2HE PHE 37 -0.972 7.546 -4.819 256 HZ PHE 37 HZ PHE 37 0.388 5.709 -5.733 257 H GLU 38 H GLU 38 5.474 8.719 -2.019 258 HA GLU 38 HA GLU 38 7.248 7.300 -2.088 259 2HB GLU 38 2HB GLU 38 7.681 6.010 0.060 260 2HG GLU 38 2HG GLU 38 7.726 8.163 1.498 261 H LEU 39 H LEU 39 7.843 4.815 -1.674 262 HA LEU 39 HA LEU 39 5.521 3.114 -1.834 263 2HB LEU 39 2HB LEU 39 7.494 2.937 -4.093 264 HG LEU 39 HG LEU 39 6.267 0.900 -3.936 265 1HD1 LEU 39 1HD1 LEU 39 4.520 1.659 -2.409 266 2HD1 LEU 39 2HD1 LEU 39 3.824 0.835 -3.805 267 3HD1 LEU 39 3HD1 LEU 39 3.780 2.597 -3.708 268 1HD2 LEU 39 1HD2 LEU 39 6.447 1.814 -6.190 269 2HD2 LEU 39 2HD2 LEU 39 4.936 2.697 -5.959 270 3HD2 LEU 39 3HD2 LEU 39 4.931 0.933 -5.988 271 H GLU 40 H GLU 40 5.910 1.572 -0.462 272 HA GLU 40 HA GLU 40 8.615 0.408 -0.417 273 2HB GLU 40 2HB GLU 40 6.785 0.484 1.968 274 2HG GLU 40 2HG GLU 40 9.720 0.091 1.597 275 H VAL 41 H VAL 41 8.564 -1.612 -1.125 276 HA VAL 41 HA VAL 41 6.003 -3.060 -1.018 277 HB VAL 41 HB VAL 41 8.304 -3.496 -2.932 278 1HG1 VAL 41 1HG1 VAL 41 7.048 -5.532 -2.494 279 2HG1 VAL 41 2HG1 VAL 41 6.731 -4.953 -4.129 280 3HG1 VAL 41 3HG1 VAL 41 5.537 -4.699 -2.855 281 1HG2 VAL 41 1HG2 VAL 41 5.629 -2.158 -3.351 282 2HG2 VAL 41 2HG2 VAL 41 6.778 -2.548 -4.632 283 3HG2 VAL 41 3HG2 VAL 41 7.209 -1.379 -3.386 284 H ILE 42 H ILE 42 5.955 -4.524 0.534 285 HA ILE 42 HA ILE 42 8.477 -5.868 1.263 286 HB ILE 42 HB ILE 42 6.162 -5.186 3.078 287 2HG1 ILE 42 2HG1 ILE 42 7.482 -3.225 2.358 288 1HG2 ILE 42 1HG2 ILE 42 8.842 -6.422 3.703 289 2HG2 ILE 42 2HG2 ILE 42 7.285 -7.247 3.733 290 3HG2 ILE 42 3HG2 ILE 42 7.618 -5.956 4.885 291 1HD1 ILE 42 1HD1 ILE 42 6.628 -3.250 4.661 292 2HD1 ILE 42 2HD1 ILE 42 8.124 -2.330 4.484 293 3HD1 ILE 42 3HD1 ILE 42 8.160 -3.948 5.193 294 H ASN 43 H ASN 43 8.399 -7.857 0.443 295 HA ASN 43 HA ASN 43 5.987 -9.319 0.071 296 2HB ASN 43 2HB ASN 43 8.366 -10.971 0.102 297 1HD2 ASN 43 1HD2 ASN 43 7.518 -9.208 -2.721 298 2HD2 ASN 43 2HD2 ASN 43 6.542 -10.429 -3.454 299 H ILE 44 H ILE 44 4.922 -10.500 1.500 300 HA ILE 44 HA ILE 44 6.100 -11.003 4.109 301 HB ILE 44 HB ILE 44 3.925 -11.800 4.795 302 2HG1 ILE 44 2HG1 ILE 44 3.450 -12.954 2.593 303 1HG2 ILE 44 1HG2 ILE 44 3.695 -9.312 3.107 304 2HG2 ILE 44 2HG2 ILE 44 4.257 -9.398 4.780 305 3HG2 ILE 44 3HG2 ILE 44 2.582 -9.794 4.387 306 1HD1 ILE 44 1HD1 ILE 44 1.204 -11.232 3.613 307 2HD1 ILE 44 2HD1 ILE 44 1.708 -12.771 4.311 308 3HD1 ILE 44 3HD1 ILE 44 1.053 -12.719 2.674 309 H ASP 45 H ASP 45 5.854 -12.588 1.159 310 HA ASP 45 HA ASP 45 5.245 -15.225 1.793 311 2HB ASP 45 2HB ASP 45 7.214 -14.346 -0.326 312 H GLY 46 H GLY 46 8.283 -13.494 2.092 313 1HA GLY 46 1HA GLY 46 9.737 -15.955 2.678 314 2HA GLY 46 2HA GLY 46 10.437 -14.356 2.491 315 H ASN 47 H ASN 47 7.678 -14.873 4.555 316 HA ASN 47 HA ASN 47 9.304 -15.132 6.945 317 2HB ASN 47 2HB ASN 47 7.493 -12.728 6.612 318 1HD2 ASN 47 1HD2 ASN 47 10.508 -12.880 8.286 319 2HD2 ASN 47 2HD2 ASN 47 9.856 -12.747 9.892 320 H GLU 48 H GLU 48 8.286 -16.643 8.082 321 HA GLU 48 HA GLU 48 5.750 -17.618 7.512 322 2HB GLU 48 2HB GLU 48 7.242 -17.847 10.124 323 2HG GLU 48 2HG GLU 48 5.426 -19.920 8.972 324 H HIS 49 H HIS 49 6.728 -15.112 9.776 325 HA HIS 49 HA HIS 49 4.275 -15.089 11.244 326 2HB HIS 49 2HB HIS 49 5.067 -12.844 12.057 327 HD1 HIS 49 1HD HIS 49 8.440 -13.558 12.343 328 HD2 HIS 49 2HD HIS 49 5.026 -15.509 13.708 329 HE1 HIS 49 1HE HIS 49 9.201 -15.001 14.258 330 H LEU 50 H LEU 50 5.649 -12.936 8.772 331 HA LEU 50 HA LEU 50 3.326 -11.360 8.487 332 2HB LEU 50 2HB LEU 50 4.383 -10.635 6.335 333 HG LEU 50 HG LEU 50 6.364 -10.634 8.611 334 1HD1 LEU 50 1HD1 LEU 50 5.964 -8.775 6.276 335 2HD1 LEU 50 2HD1 LEU 50 7.289 -9.920 6.481 336 3HD1 LEU 50 3HD1 LEU 50 7.127 -8.552 7.582 337 1HD2 LEU 50 1HD2 LEU 50 4.113 -8.713 8.026 338 2HD2 LEU 50 2HD2 LEU 50 5.336 -8.524 9.284 339 3HD2 LEU 50 3HD2 LEU 50 4.176 -9.852 9.371 340 H THR 51 H THR 51 4.473 -14.242 6.739 341 HA THR 51 HA THR 51 2.610 -14.279 4.682 342 HB THR 51 HB THR 51 3.663 -16.691 6.181 343 HG1 THR 51 1HG THR 51 5.007 -14.999 4.764 344 1HG2 THR 51 1HG2 THR 51 2.462 -16.523 3.409 345 2HG2 THR 51 2HG2 THR 51 1.623 -17.140 4.833 346 3HG2 THR 51 3HG2 THR 51 3.052 -17.977 4.216 347 H ARG 52 H ARG 52 2.294 -15.883 7.859 348 HA ARG 52 HA ARG 52 -0.347 -16.741 7.315 349 2HB ARG 52 2HB ARG 52 -0.401 -17.215 9.821 350 2HG ARG 52 2HG ARG 52 2.008 -18.357 8.423 351 2HD ARG 52 2HD ARG 52 1.144 -20.432 9.603 352 HE ARG 52 HE ARG 52 2.958 -18.735 10.539 353 1HH1 ARG 52 1HH1 ARG 52 0.270 -20.282 12.170 354 2HH1 ARG 52 2HH1 ARG 52 1.100 -20.411 13.691 355 1HH2 ARG 52 1HH2 ARG 52 4.077 -18.940 12.541 356 2HH2 ARG 52 2HH2 ARG 52 3.261 -19.642 13.901 357 H LEU 53 H LEU 53 0.978 -13.865 8.772 358 HA LEU 53 HA LEU 53 -1.399 -12.935 9.977 359 2HB LEU 53 2HB LEU 53 0.351 -10.830 9.014 360 HG LEU 53 HG LEU 53 -0.181 -11.813 11.817 361 1HD1 LEU 53 1HD1 LEU 53 0.730 -9.668 12.530 362 2HD1 LEU 53 2HD1 LEU 53 1.095 -9.256 10.854 363 3HD1 LEU 53 3HD1 LEU 53 1.933 -10.599 11.635 364 1HD2 LEU 53 1HD2 LEU 53 -1.365 -9.490 10.298 365 2HD2 LEU 53 2HD2 LEU 53 -1.690 -9.905 11.980 366 3HD2 LEU 53 3HD2 LEU 53 -2.195 -10.995 10.690 367 H TYR 54 H TYR 54 0.090 -12.151 6.802 368 HA TYR 54 HA TYR 54 -2.436 -10.790 6.117 369 2HB TYR 54 2HB TYR 54 -1.181 -9.442 4.511 370 HD1 TYR 54 1HD TYR 54 1.448 -9.930 7.033 371 HD2 TYR 54 2HD TYR 54 -2.001 -7.695 5.934 372 HE1 TYR 54 1HE TYR 54 2.012 -8.241 8.726 373 HE2 TYR 54 2HE TYR 54 -1.454 -6.001 7.630 374 HH TYR 54 HH TYR 54 -0.179 -5.751 9.654 375 H ASN 55 H ASN 55 -1.558 -13.738 5.695 376 HA ASN 55 HA ASN 55 -1.193 -14.148 2.940 377 2HB ASN 55 2HB ASN 55 -2.579 -15.980 4.913 378 1HD2 ASN 55 1HD2 ASN 55 -3.975 -16.946 3.445 379 2HD2 ASN 55 2HD2 ASN 55 -3.417 -17.904 2.121 380 H ASP 56 H ASP 56 -4.125 -13.743 4.842 381 HA ASP 56 HA ASP 56 -5.708 -13.780 2.359 382 2HB ASP 56 2HB ASP 56 -6.721 -13.696 5.211 383 H ARG 57 H ARG 57 -3.869 -11.628 3.611 384 HA ARG 57 HA ARG 57 -5.758 -9.422 3.326 385 2HB ARG 57 2HB ARG 57 -3.656 -9.417 5.488 386 2HG ARG 57 2HG ARG 57 -6.282 -7.981 5.540 387 2HD ARG 57 2HD ARG 57 -5.159 -6.494 7.038 388 HE ARG 57 HE ARG 57 -5.253 -9.235 7.701 389 1HH1 ARG 57 1HH1 ARG 57 -3.986 -6.164 8.826 390 2HH1 ARG 57 2HH1 ARG 57 -3.868 -6.688 10.481 391 1HH2 ARG 57 1HH2 ARG 57 -5.098 -9.917 9.887 392 2HH2 ARG 57 2HH2 ARG 57 -4.474 -8.812 11.086 393 H VAL 58 H VAL 58 -3.630 -10.647 1.610 394 HA VAL 58 HA VAL 58 -1.601 -8.602 1.643 395 HB VAL 58 HB VAL 58 -1.005 -9.846 -0.645 396 1HG1 VAL 58 1HG1 VAL 58 0.495 -9.488 1.179 397 2HG1 VAL 58 2HG1 VAL 58 0.594 -11.171 0.654 398 3HG1 VAL 58 3HG1 VAL 58 -0.290 -10.755 2.124 399 1HG2 VAL 58 1HG2 VAL 58 -1.270 -12.291 -0.261 400 2HG2 VAL 58 2HG2 VAL 58 -2.756 -11.426 -0.670 401 3HG2 VAL 58 3HG2 VAL 58 -2.443 -11.904 1.001 402 HA PRO 59 HA PRO 59 -1.184 -6.686 -2.126 403 2HB PRO 59 2HB PRO 59 -2.581 -6.506 -4.007 404 2HG PRO 59 2HG PRO 59 -1.910 -8.655 -4.320 405 2HD PRO 59 2HD PRO 59 -0.994 -9.359 -2.352 406 H VAL 60 H VAL 60 -1.188 -5.741 0.056 407 HA VAL 60 HA VAL 60 -3.660 -4.313 0.762 408 HB VAL 60 HB VAL 60 -2.908 -6.357 2.145 409 1HG1 VAL 60 1HG1 VAL 60 -1.292 -6.022 3.863 410 2HG1 VAL 60 2HG1 VAL 60 -0.965 -4.385 3.284 411 3HG1 VAL 60 3HG1 VAL 60 -0.551 -5.777 2.279 412 1HG2 VAL 60 1HG2 VAL 60 -3.697 -5.474 4.195 413 2HG2 VAL 60 2HG2 VAL 60 -4.601 -4.712 2.879 414 3HG2 VAL 60 3HG2 VAL 60 -3.313 -3.823 3.695 415 H LEU 61 H LEU 61 -3.493 -2.202 1.385 416 HA LEU 61 HA LEU 61 -0.839 -0.989 1.097 417 2HB LEU 61 2HB LEU 61 -2.157 1.167 0.909 418 HG LEU 61 HG LEU 61 -2.821 -0.880 -1.210 419 1HD1 LEU 61 1HD1 LEU 61 -4.149 1.152 -1.371 420 2HD1 LEU 61 2HD1 LEU 61 -2.969 1.066 -2.680 421 3HD1 LEU 61 3HD1 LEU 61 -2.682 2.130 -1.302 422 1HD2 LEU 61 1HD2 LEU 61 -0.804 -0.006 -2.344 423 2HD2 LEU 61 2HD2 LEU 61 -0.430 -0.837 -0.832 424 3HD2 LEU 61 3HD2 LEU 61 -0.425 0.928 -0.896 425 H PHE 62 H PHE 62 0.175 -0.727 2.923 426 HA PHE 62 HA PHE 62 -1.289 -0.228 5.392 427 2HB PHE 62 2HB PHE 62 1.655 -0.716 4.884 428 HD1 PHE 62 1HD PHE 62 -0.591 -1.761 7.627 429 HD2 PHE 62 2HD PHE 62 2.732 0.631 6.471 430 HE1 PHE 62 1HE PHE 62 -0.103 -1.302 9.992 431 HE2 PHE 62 2HE PHE 62 3.231 1.093 8.835 432 HZ PHE 62 HZ PHE 62 1.812 0.124 10.600 433 H ALA 63 H ALA 63 -1.614 1.747 6.094 434 HA ALA 63 HA ALA 63 -0.374 4.007 4.806 435 1HB ALA 63 1HB ALA 63 -2.389 3.888 7.056 436 2HB ALA 63 2HB ALA 63 -2.748 4.060 5.335 437 3HB ALA 63 3HB ALA 63 -1.892 5.343 6.188 438 H VAL 64 H VAL 64 1.728 4.274 5.385 439 HA VAL 64 HA VAL 64 2.592 3.966 8.118 440 HB VAL 64 HB VAL 64 4.076 5.092 5.736 441 1HG1 VAL 64 1HG1 VAL 64 6.098 4.735 7.076 442 2HG1 VAL 64 2HG1 VAL 64 5.098 4.263 8.451 443 3HG1 VAL 64 3HG1 VAL 64 5.016 5.911 7.825 444 1HG2 VAL 64 1HG2 VAL 64 4.138 2.361 7.006 445 2HG2 VAL 64 2HG2 VAL 64 5.207 2.910 5.717 446 3HG2 VAL 64 3HG2 VAL 64 3.473 2.766 5.424 447 H ASN 65 H ASN 65 1.706 5.397 9.435 448 HA ASN 65 HA ASN 65 2.646 7.913 9.863 449 2HB ASN 65 2HB ASN 65 -0.044 8.273 8.560 450 1HD2 ASN 65 1HD2 ASN 65 1.263 10.428 7.028 451 2HD2 ASN 65 2HD2 ASN 65 1.445 11.732 8.145 452 H GLU 66 H GLU 66 -0.273 5.957 9.764 453 HA GLU 66 HA GLU 66 -0.766 6.654 12.581 454 2HB GLU 66 2HB GLU 66 -2.946 5.900 10.648 455 2HG GLU 66 2HG GLU 66 -3.000 7.544 13.168 456 H ASP 67 H ASP 67 0.283 4.317 10.619 457 HA ASP 67 HA ASP 67 0.517 2.071 10.673 458 2HB ASP 67 2HB ASP 67 0.273 0.994 12.987 459 H LYS 68 H LYS 68 -1.280 1.798 9.260 460 HA LYS 68 HA LYS 68 -3.128 -0.137 10.179 461 2HB LYS 68 2HB LYS 68 -4.241 1.854 11.135 462 2HG LYS 68 2HG LYS 68 -4.606 2.793 8.294 463 2HD LYS 68 2HD LYS 68 -5.283 4.105 10.917 464 2HE LYS 68 2HE LYS 68 -6.051 4.836 8.097 465 1HZ LYS 68 1HZ LYS 68 -6.843 6.871 9.189 466 2HZ LYS 68 2HZ LYS 68 -6.518 6.186 10.702 467 3HZ LYS 68 3HZ LYS 68 -7.701 5.502 9.697 468 H GLU 69 H GLU 69 -4.191 -1.158 8.416 469 HA GLU 69 HA GLU 69 -3.177 -0.381 5.805 470 2HB GLU 69 2HB GLU 69 -4.063 -2.445 4.979 471 2HG GLU 69 2HG GLU 69 -2.125 -2.532 6.764 472 H LEU 70 H LEU 70 -4.440 0.285 4.074 473 HA LEU 70 HA LEU 70 -6.965 1.521 4.828 474 2HB LEU 70 2HB LEU 70 -6.893 2.567 2.606 475 HG LEU 70 HG LEU 70 -4.150 2.819 3.827 476 1HD1 LEU 70 1HD1 LEU 70 -4.270 5.071 2.883 477 2HD1 LEU 70 2HD1 LEU 70 -5.838 4.687 2.172 478 3HD1 LEU 70 3HD1 LEU 70 -4.393 3.829 1.639 479 1HD2 LEU 70 1HD2 LEU 70 -5.859 3.101 5.559 480 2HD2 LEU 70 2HD2 LEU 70 -6.683 4.294 4.553 481 3HD2 LEU 70 3HD2 LEU 70 -5.066 4.630 5.177 482 H CYS 71 H CYS 71 -5.792 -0.747 2.360 483 HA CYS 71 HA CYS 71 -8.359 -2.092 2.340 484 2HB CYS 71 2HB CYS 71 -7.212 -0.855 -0.181 485 HG CYS 71 HG CYS 71 -10.106 -1.523 -1.035 486 H HIS 72 H HIS 72 -8.270 -4.116 1.149 487 HA HIS 72 HA HIS 72 -5.587 -5.047 0.454 488 2HB HIS 72 2HB HIS 72 -5.964 -5.812 2.763 489 HD1 HIS 72 1HD HIS 72 -7.449 -8.908 2.428 490 HD2 HIS 72 2HD HIS 72 -9.029 -5.098 2.951 491 HE1 HIS 72 1HE HIS 72 -9.736 -9.253 3.405 492 H TYR 73 H TYR 73 -5.536 -6.172 -1.352 493 HA TYR 73 HA TYR 73 -6.163 -7.058 -3.337 494 2HB TYR 73 2HB TYR 73 -8.130 -8.458 -3.526 495 HD1 TYR 73 1HD TYR 73 -6.112 -9.936 -3.526 496 HD2 TYR 73 2HD TYR 73 -8.056 -8.762 0.074 497 HE1 TYR 73 1HE TYR 73 -5.016 -11.787 -2.333 498 HE2 TYR 73 2HE TYR 73 -6.969 -10.611 1.270 499 HH TYR 73 HH TYR 73 -4.424 -12.462 -0.116 500 H PHE 74 H PHE 74 -6.671 -5.910 -5.004 501 HA PHE 74 HA PHE 74 -7.584 -4.400 -6.405 502 2HB PHE 74 2HB PHE 74 -10.020 -3.717 -5.990 503 HD1 PHE 74 1HD PHE 74 -10.216 -7.175 -5.020 504 HD2 PHE 74 2HD PHE 74 -9.588 -4.557 -8.317 505 HE1 PHE 74 1HE PHE 74 -10.726 -9.013 -6.575 506 HE2 PHE 74 2HE PHE 74 -10.101 -6.388 -9.877 507 HZ PHE 74 HZ PHE 74 -10.670 -8.622 -9.006 508 H LEU 75 H LEU 75 -8.709 -2.066 -6.318 509 HA LEU 75 HA LEU 75 -7.161 -0.690 -4.228 510 2HB LEU 75 2HB LEU 75 -7.392 0.257 -7.072 511 HG LEU 75 HG LEU 75 -6.564 1.936 -5.454 512 1HD1 LEU 75 1HD1 LEU 75 -4.400 1.578 -4.377 513 2HD1 LEU 75 2HD1 LEU 75 -4.357 -0.068 -5.009 514 3HD1 LEU 75 3HD1 LEU 75 -5.587 0.391 -3.828 515 1HD2 LEU 75 1HD2 LEU 75 -4.571 2.533 -6.681 516 2HD2 LEU 75 2HD2 LEU 75 -5.780 1.893 -7.796 517 3HD2 LEU 75 3HD2 LEU 75 -4.422 0.885 -7.292 518 H ASP 76 H ASP 76 -8.439 0.499 -3.006 519 HA ASP 76 HA ASP 76 -10.843 1.739 -4.104 520 2HB ASP 76 2HB ASP 76 -11.029 2.601 -1.657 521 H SER 77 H SER 77 -10.490 3.542 -5.202 522 HA SER 77 HA SER 77 -8.188 5.160 -4.879 523 2HB SER 77 2HB SER 77 -9.182 6.571 -6.589 524 HG SER 77 HG SER 77 -10.056 4.599 -7.935 525 H ASP 78 H ASP 78 -11.544 5.484 -3.799 526 HA ASP 78 HA ASP 78 -11.298 8.162 -2.891 527 2HB ASP 78 2HB ASP 78 -13.243 5.975 -2.145 528 H VAL 79 H VAL 79 -10.874 5.038 -1.306 529 HA VAL 79 HA VAL 79 -10.630 6.063 1.314 530 HB VAL 79 HB VAL 79 -9.686 3.441 0.148 531 1HG1 VAL 79 1HG1 VAL 79 -8.346 3.960 2.117 532 2HG1 VAL 79 2HG1 VAL 79 -9.482 2.663 2.472 533 3HG1 VAL 79 3HG1 VAL 79 -9.806 4.299 3.041 534 1HG2 VAL 79 1HG2 VAL 79 -11.653 2.578 1.398 535 2HG2 VAL 79 2HG2 VAL 79 -12.075 3.706 0.112 536 3HG2 VAL 79 3HG2 VAL 79 -12.082 4.246 1.789 537 H ILE 80 H ILE 80 -8.174 5.279 -1.161 538 HA ILE 80 HA ILE 80 -6.020 6.038 0.555 539 HB ILE 80 HB ILE 80 -5.579 4.547 -1.340 540 2HG1 ILE 80 2HG1 ILE 80 -4.166 7.212 -1.400 541 1HG2 ILE 80 1HG2 ILE 80 -7.134 5.482 -2.948 542 2HG2 ILE 80 2HG2 ILE 80 -5.504 5.383 -3.612 543 3HG2 ILE 80 3HG2 ILE 80 -6.143 6.935 -3.071 544 1HD1 ILE 80 1HD1 ILE 80 -2.473 6.123 -0.090 545 2HD1 ILE 80 2HD1 ILE 80 -3.376 4.605 -0.135 546 3HD1 ILE 80 3HD1 ILE 80 -4.033 6.000 0.719 547 H GLY 81 H GLY 81 -8.089 7.709 -1.738 548 1HA GLY 81 1HA GLY 81 -6.671 10.146 -1.860 549 2HA GLY 81 2HA GLY 81 -8.403 9.951 -2.109 550 H ALA 82 H ALA 82 -8.855 8.795 0.505 551 HA ALA 82 HA ALA 82 -9.211 11.154 2.041 552 1HB ALA 82 1HB ALA 82 -10.069 9.646 3.763 553 2HB ALA 82 2HB ALA 82 -9.453 8.256 2.867 554 3HB ALA 82 3HB ALA 82 -10.742 9.249 2.183 555 H TYR 83 H TYR 83 -6.738 8.692 1.924 556 HA TYR 83 HA TYR 83 -5.495 9.593 4.384 557 2HB TYR 83 2HB TYR 83 -4.820 7.445 2.381 558 HD1 TYR 83 1HD TYR 83 -2.533 7.641 1.799 559 HD2 TYR 83 2HD TYR 83 -3.698 7.928 5.889 560 HE1 TYR 83 1HE TYR 83 -0.172 7.557 2.480 561 HE2 TYR 83 2HE TYR 83 -1.334 7.852 6.574 562 HH TYR 83 HH TYR 83 0.843 7.020 5.631 563 H LEU 84 H LEU 84 -4.884 9.740 0.918 564 HA LEU 84 HA LEU 84 -2.269 10.799 1.155 565 2HB LEU 84 2HB LEU 84 -3.255 11.519 -1.363 566 HG LEU 84 HG LEU 84 -2.137 9.384 -2.150 567 1HD1 LEU 84 1HD1 LEU 84 -0.970 11.534 -2.058 568 2HD1 LEU 84 2HD1 LEU 84 0.111 10.201 -1.646 569 3HD1 LEU 84 3HD1 LEU 84 -0.545 11.233 -0.373 570 1HD2 LEU 84 1HD2 LEU 84 -0.782 8.177 -0.536 571 2HD2 LEU 84 2HD2 LEU 84 -2.494 8.068 -0.129 572 3HD2 LEU 84 3HD2 LEU 84 -1.440 9.161 0.769 573 H SER 85 H SER 85 -5.375 12.270 1.302 574 HA SER 85 HA SER 85 -4.326 14.933 0.812 575 2HB SER 85 2HB SER 85 -6.621 15.685 1.166 576 HG SER 85 HG SER 85 -6.986 13.278 -0.235 Start of MODEL 11 1 HA MET 1 HA MET 1 1.731 30.445 8.573 2 2HB MET 1 2HB MET 1 4.238 32.141 8.489 3 2HG MET 1 2HG MET 1 1.469 32.766 7.487 4 1HE MET 1 1HE MET 1 5.185 35.504 7.410 5 2HE MET 1 2HE MET 1 5.011 34.093 6.366 6 3HE MET 1 3HE MET 1 5.175 33.884 8.108 7 H ASN 2 H ASN 2 5.168 29.934 7.820 8 HA ASN 2 HA ASN 2 4.781 29.481 5.040 9 2HB ASN 2 2HB ASN 2 7.027 28.384 5.150 10 1HD2 ASN 2 1HD2 ASN 2 8.894 29.616 5.024 11 2HD2 ASN 2 2HD2 ASN 2 8.887 31.330 5.259 12 H ASN 3 H ASN 3 3.689 27.800 4.164 13 HA ASN 3 HA ASN 3 2.884 25.672 5.927 14 2HB ASN 3 2HB ASN 3 1.329 26.754 4.262 15 1HD2 ASN 3 1HD2 ASN 3 2.135 27.869 2.479 16 2HD2 ASN 3 2HD2 ASN 3 2.441 27.078 0.966 17 H GLN 4 H GLN 4 3.818 23.804 6.181 18 HA GLN 4 HA GLN 4 5.613 22.841 4.053 19 2HB GLN 4 2HB GLN 4 5.669 22.141 6.996 20 2HG GLN 4 2HG GLN 4 7.673 21.502 4.845 21 1HE2 GLN 4 1HE2 GLN 4 6.805 19.593 7.608 22 2HE2 GLN 4 2HE2 GLN 4 8.306 19.772 8.448 23 H VAL 5 H VAL 5 3.881 21.933 2.920 24 HA VAL 5 HA VAL 5 2.382 19.811 4.226 25 HB VAL 5 HB VAL 5 1.110 19.661 2.132 26 1HG1 VAL 5 1HG1 VAL 5 0.381 21.202 3.868 27 2HG1 VAL 5 2HG1 VAL 5 0.021 21.853 2.269 28 3HG1 VAL 5 3HG1 VAL 5 1.396 22.474 3.186 29 1HG2 VAL 5 1HG2 VAL 5 2.931 20.253 0.606 30 2HG2 VAL 5 2HG2 VAL 5 2.882 21.916 1.191 31 3HG2 VAL 5 3HG2 VAL 5 1.501 21.242 0.322 32 H GLU 6 H GLU 6 2.590 17.727 3.788 33 HA GLU 6 HA GLU 6 4.743 16.935 1.950 34 2HB GLU 6 2HB GLU 6 5.557 15.357 3.598 35 2HG GLU 6 2HG GLU 6 5.130 18.081 4.805 36 HA PRO 7 HA PRO 7 1.807 14.036 0.474 37 2HB PRO 7 2HB PRO 7 3.318 13.728 -1.258 38 2HG PRO 7 2HG PRO 7 5.604 13.526 -0.842 39 2HD PRO 7 2HD PRO 7 5.177 15.517 0.243 40 H ARG 8 H ARG 8 1.353 11.579 0.509 41 HA ARG 8 HA ARG 8 1.628 10.713 3.276 42 2HB ARG 8 2HB ARG 8 -0.022 8.932 2.596 43 2HG ARG 8 2HG ARG 8 -0.770 11.160 3.540 44 2HD ARG 8 2HD ARG 8 -1.434 11.638 0.638 45 HE ARG 8 HE ARG 8 -2.980 12.482 2.696 46 1HH1 ARG 8 1HH1 ARG 8 -0.806 14.172 0.539 47 2HH1 ARG 8 2HH1 ARG 8 -1.724 15.641 0.535 48 1HH2 ARG 8 1HH2 ARG 8 -4.228 14.404 2.659 49 2HH2 ARG 8 2HH2 ARG 8 -3.690 15.764 1.722 50 H LYS 9 H LYS 9 1.714 8.073 3.291 51 HA LYS 9 HA LYS 9 3.737 7.195 1.382 52 2HB LYS 9 2HB LYS 9 4.224 6.638 4.285 53 2HG LYS 9 2HG LYS 9 6.591 6.717 3.598 54 2HD LYS 9 2HD LYS 9 4.868 4.839 1.989 55 2HE LYS 9 2HE LYS 9 7.175 4.945 1.147 56 1HZ LYS 9 1HZ LYS 9 8.519 5.543 2.919 57 2HZ LYS 9 2HZ LYS 9 8.869 3.889 2.720 58 3HZ LYS 9 3HZ LYS 9 7.842 4.394 3.965 59 H LEU 10 H LEU 10 2.935 5.417 0.541 60 HA LEU 10 HA LEU 10 1.343 3.619 2.233 61 2HB LEU 10 2HB LEU 10 0.670 2.609 0.019 62 HG LEU 10 HG LEU 10 -0.029 5.523 0.375 63 1HD1 LEU 10 1HD1 LEU 10 -0.536 4.710 -1.871 64 2HD1 LEU 10 2HD1 LEU 10 -2.007 4.993 -0.941 65 3HD1 LEU 10 3HD1 LEU 10 -1.419 3.347 -1.181 66 1HD2 LEU 10 1HD2 LEU 10 -1.397 3.014 1.340 67 2HD2 LEU 10 2HD2 LEU 10 -2.024 4.654 1.504 68 3HD2 LEU 10 3HD2 LEU 10 -0.546 4.187 2.346 69 H VAL 11 H VAL 11 2.053 1.673 2.737 70 HA VAL 11 HA VAL 11 4.418 0.617 1.341 71 HB VAL 11 HB VAL 11 3.274 -0.088 4.049 72 1HG1 VAL 11 1HG1 VAL 11 5.651 -1.301 2.652 73 2HG1 VAL 11 2HG1 VAL 11 4.085 -2.083 2.851 74 3HG1 VAL 11 3HG1 VAL 11 5.067 -1.697 4.267 75 1HG2 VAL 11 1HG2 VAL 11 5.397 0.721 4.905 76 2HG2 VAL 11 2HG2 VAL 11 4.585 1.980 3.977 77 3HG2 VAL 11 3HG2 VAL 11 5.935 1.092 3.268 78 H VAL 12 H VAL 12 4.129 -1.079 0.007 79 HA VAL 12 HA VAL 12 1.535 -2.420 0.072 80 HB VAL 12 HB VAL 12 3.731 -2.566 -1.994 81 1HG1 VAL 12 1HG1 VAL 12 0.954 -3.719 -2.031 82 2HG1 VAL 12 2HG1 VAL 12 2.455 -4.629 -1.881 83 3HG1 VAL 12 3HG1 VAL 12 2.103 -3.752 -3.370 84 1HG2 VAL 12 1HG2 VAL 12 2.659 -0.393 -1.956 85 2HG2 VAL 12 2HG2 VAL 12 1.075 -1.160 -2.067 86 3HG2 VAL 12 3HG2 VAL 12 2.211 -1.286 -3.408 87 H TYR 13 H TYR 13 1.441 -4.119 1.376 88 HA TYR 13 HA TYR 13 3.757 -5.772 1.887 89 2HB TYR 13 2HB TYR 13 2.095 -7.182 3.180 90 HD1 TYR 13 1HD TYR 13 4.284 -6.114 4.294 91 HD2 TYR 13 2HD TYR 13 0.414 -4.350 4.299 92 HE1 TYR 13 1HE TYR 13 4.889 -4.809 6.289 93 HE2 TYR 13 2HE TYR 13 1.009 -3.042 6.291 94 HH TYR 13 HH TYR 13 2.584 -3.157 8.160 95 H GLY 14 H GLY 14 4.405 -7.125 0.396 96 1HA GLY 14 1HA GLY 14 2.369 -8.726 -1.026 97 2HA GLY 14 2HA GLY 14 3.875 -8.211 -1.779 98 H ARG 15 H ARG 15 4.174 -10.578 -2.140 99 HA ARG 15 HA ARG 15 5.959 -11.541 -0.148 100 2HB ARG 15 2HB ARG 15 4.108 -12.360 1.033 101 2HG ARG 15 2HG ARG 15 2.995 -13.262 -1.598 102 2HD ARG 15 2HD ARG 15 2.756 -15.233 -0.359 103 HE ARG 15 HE ARG 15 1.953 -13.794 2.082 104 1HH1 ARG 15 1HH1 ARG 15 3.899 -16.195 0.441 105 2HH1 ARG 15 2HH1 ARG 15 4.675 -16.757 1.888 106 1HH2 ARG 15 1HH2 ARG 15 2.955 -14.541 4.013 107 2HH2 ARG 15 2HH2 ARG 15 4.122 -15.818 3.938 108 H GLU 16 H GLU 16 4.011 -12.591 -2.922 109 HA GLU 16 HA GLU 16 6.384 -13.925 -3.979 110 2HB GLU 16 2HB GLU 16 5.090 -15.960 -4.424 111 2HG GLU 16 2HG GLU 16 4.916 -15.069 -1.556 112 H GLY 17 H GLY 17 5.432 -15.081 -6.188 113 1HA GLY 17 1HA GLY 17 5.066 -12.759 -7.848 114 2HA GLY 17 2HA GLY 17 5.319 -14.407 -8.394 115 H CYS 18 H CYS 18 2.810 -12.609 -6.618 116 HA CYS 18 HA CYS 18 0.697 -14.013 -8.003 117 2HB CYS 18 2HB CYS 18 -0.807 -12.653 -6.679 118 HG CYS 18 HG CYS 18 0.152 -14.789 -5.194 119 H HIS 19 H HIS 19 -0.436 -13.267 -9.774 120 HA HIS 19 HA HIS 19 0.844 -11.260 -11.337 121 2HB HIS 19 2HB HIS 19 -1.938 -12.228 -11.924 122 HD1 HIS 19 1HD HIS 19 0.392 -13.302 -14.405 123 HD2 HIS 19 2HD HIS 19 -1.428 -9.674 -13.496 124 HE1 HIS 19 1HE HIS 19 0.602 -11.903 -16.479 125 H LEU 20 H LEU 20 -2.130 -11.345 -9.418 126 HA LEU 20 HA LEU 20 -3.083 -8.790 -9.960 127 2HB LEU 20 2HB LEU 20 -3.934 -8.880 -7.540 128 HG LEU 20 HG LEU 20 -4.689 -11.261 -9.233 129 1HD1 LEU 20 1HD1 LEU 20 -6.834 -11.035 -8.074 130 2HD1 LEU 20 2HD1 LEU 20 -6.182 -9.697 -7.122 131 3HD1 LEU 20 3HD1 LEU 20 -5.514 -11.321 -6.938 132 1HD2 LEU 20 1HD2 LEU 20 -5.792 -8.452 -9.296 133 2HD2 LEU 20 2HD2 LEU 20 -6.389 -9.826 -10.224 134 3HD2 LEU 20 3HD2 LEU 20 -4.778 -9.180 -10.546 135 H CYS 21 H CYS 21 -0.400 -9.789 -7.966 136 HA CYS 21 HA CYS 21 -0.136 -7.527 -6.347 137 2HB CYS 21 2HB CYS 21 2.105 -9.246 -7.435 138 HG CYS 21 HG CYS 21 3.694 -7.543 -6.257 139 H GLU 22 H GLU 22 1.324 -8.233 -9.535 140 HA GLU 22 HA GLU 22 2.644 -5.707 -9.672 141 2HB GLU 22 2HB GLU 22 3.370 -7.732 -10.952 142 2HG GLU 22 2HG GLU 22 0.962 -7.083 -12.626 143 H GLU 23 H GLU 23 -0.507 -6.882 -10.579 144 HA GLU 23 HA GLU 23 -1.213 -4.705 -12.263 145 2HB GLU 23 2HB GLU 23 -3.512 -5.525 -12.014 146 2HG GLU 23 2HG GLU 23 -1.614 -7.845 -12.212 147 H MET 24 H MET 24 -1.646 -5.400 -8.824 148 HA MET 24 HA MET 24 -3.019 -3.015 -8.180 149 2HB MET 24 2HB MET 24 -2.210 -3.391 -5.871 150 2HG MET 24 2HG MET 24 -3.112 -5.692 -5.531 151 1HE MET 24 1HE MET 24 -4.459 -3.993 -4.060 152 2HE MET 24 2HE MET 24 -5.584 -2.798 -4.704 153 3HE MET 24 3HE MET 24 -3.855 -2.646 -5.023 154 H ILE 25 H ILE 25 0.437 -3.847 -8.172 155 HA ILE 25 HA ILE 25 1.456 -1.405 -7.310 156 HB ILE 25 HB ILE 25 2.633 -3.351 -9.301 157 2HG1 ILE 25 2HG1 ILE 25 2.223 -4.233 -7.015 158 1HG2 ILE 25 1HG2 ILE 25 3.650 -1.163 -9.604 159 2HG2 ILE 25 2HG2 ILE 25 4.791 -2.273 -8.844 160 3HG2 ILE 25 3HG2 ILE 25 3.968 -1.053 -7.872 161 1HD1 ILE 25 1HD1 ILE 25 5.149 -3.765 -7.554 162 2HD1 ILE 25 2HD1 ILE 25 4.178 -5.098 -8.181 163 3HD1 ILE 25 3HD1 ILE 25 4.476 -4.964 -6.448 164 H ALA 26 H ALA 26 0.770 -2.470 -10.641 165 HA ALA 26 HA ALA 26 1.470 -0.082 -11.919 166 1HB ALA 26 1HB ALA 26 1.112 -2.190 -13.103 167 2HB ALA 26 2HB ALA 26 0.141 -0.888 -13.790 168 3HB ALA 26 3HB ALA 26 -0.612 -2.095 -12.748 169 H SER 27 H SER 27 -1.642 -1.168 -10.609 170 HA SER 27 HA SER 27 -3.223 0.995 -11.321 171 2HB SER 27 2HB SER 27 -4.615 0.390 -9.337 172 HG SER 27 HG SER 27 -3.595 -1.865 -10.746 173 H LEU 28 H LEU 28 -1.268 0.556 -8.380 174 HA LEU 28 HA LEU 28 -1.854 3.104 -7.304 175 2HB LEU 28 2HB LEU 28 0.422 2.583 -6.057 176 HG LEU 28 HG LEU 28 -0.662 1.196 -4.414 177 1HD1 LEU 28 1HD1 LEU 28 -2.666 2.533 -3.961 178 2HD1 LEU 28 2HD1 LEU 28 -2.582 3.197 -5.593 179 3HD1 LEU 28 3HD1 LEU 28 -1.294 3.535 -4.434 180 1HD2 LEU 28 1HD2 LEU 28 -2.847 0.785 -6.450 181 2HD2 LEU 28 2HD2 LEU 28 -2.881 0.241 -4.772 182 3HD2 LEU 28 3HD2 LEU 28 -1.699 -0.434 -5.895 183 H ARG 29 H ARG 29 0.761 1.924 -9.388 184 HA ARG 29 HA ARG 29 2.369 4.226 -9.283 185 2HB ARG 29 2HB ARG 29 3.209 3.448 -11.537 186 2HG ARG 29 2HG ARG 29 4.039 1.237 -10.742 187 2HD ARG 29 2HD ARG 29 5.116 2.223 -8.615 188 HE ARG 29 HE ARG 29 5.781 2.599 -11.225 189 1HH1 ARG 29 1HH1 ARG 29 5.888 4.737 -8.449 190 2HH1 ARG 29 2HH1 ARG 29 7.397 5.472 -8.910 191 1HH2 ARG 29 1HH2 ARG 29 7.762 3.558 -11.831 192 2HH2 ARG 29 2HH2 ARG 29 8.444 4.824 -10.851 193 H VAL 30 H VAL 30 -0.375 3.405 -11.341 194 HA VAL 30 HA VAL 30 -0.227 5.742 -12.939 195 HB VAL 30 HB VAL 30 -2.605 3.962 -12.378 196 1HG1 VAL 30 1HG1 VAL 30 -2.213 6.131 -14.447 197 2HG1 VAL 30 2HG1 VAL 30 -3.378 6.137 -13.122 198 3HG1 VAL 30 3HG1 VAL 30 -3.546 4.978 -14.440 199 1HG2 VAL 30 1HG2 VAL 30 -0.633 4.072 -14.658 200 2HG2 VAL 30 2HG2 VAL 30 -2.087 3.073 -14.633 201 3HG2 VAL 30 3HG2 VAL 30 -0.796 2.780 -13.467 202 H LEU 31 H LEU 31 -2.088 4.965 -10.010 203 HA LEU 31 HA LEU 31 -3.400 7.476 -9.864 204 2HB LEU 31 2HB LEU 31 -2.808 6.176 -7.298 205 HG LEU 31 HG LEU 31 -5.494 6.525 -8.623 206 1HD1 LEU 31 1HD1 LEU 31 -6.333 6.413 -6.343 207 2HD1 LEU 31 2HD1 LEU 31 -4.690 6.201 -5.738 208 3HD1 LEU 31 3HD1 LEU 31 -5.425 4.959 -6.754 209 1HD2 LEU 31 1HD2 LEU 31 -4.038 8.433 -6.795 210 2HD2 LEU 31 2HD2 LEU 31 -5.717 8.587 -7.319 211 3HD2 LEU 31 3HD2 LEU 31 -4.410 8.699 -8.500 212 H GLN 32 H GLN 32 -0.306 6.284 -8.801 213 HA GLN 32 HA GLN 32 0.449 8.369 -7.072 214 2HB GLN 32 2HB GLN 32 2.394 6.874 -8.806 215 2HG GLN 32 2HG GLN 32 2.473 7.470 -5.863 216 1HE2 GLN 32 1HE2 GLN 32 4.402 6.936 -4.872 217 2HE2 GLN 32 2HE2 GLN 32 5.541 5.854 -5.579 218 H LYS 33 H LYS 33 0.230 8.156 -10.493 219 HA LYS 33 HA LYS 33 1.953 10.377 -11.053 220 2HB LYS 33 2HB LYS 33 0.921 10.219 -13.345 221 2HG LYS 33 2HG LYS 33 1.972 7.612 -12.284 222 2HD LYS 33 2HD LYS 33 3.098 7.653 -14.558 223 2HE LYS 33 2HE LYS 33 0.090 7.476 -14.573 224 1HZ LYS 33 1HZ LYS 33 2.167 6.111 -16.207 225 2HZ LYS 33 2HZ LYS 33 1.079 7.289 -16.759 226 3HZ LYS 33 3HZ LYS 33 0.506 5.772 -16.264 227 H LYS 34 H LYS 34 -1.192 10.044 -9.875 228 HA LYS 34 HA LYS 34 -1.907 12.792 -10.638 229 2HB LYS 34 2HB LYS 34 -4.067 12.213 -9.374 230 2HG LYS 34 2HG LYS 34 -3.770 12.074 -11.930 231 2HD LYS 34 2HD LYS 34 -4.553 9.423 -12.222 232 2HE LYS 34 2HE LYS 34 -2.481 9.197 -13.490 233 1HZ LYS 34 1HZ LYS 34 -3.540 11.958 -13.816 234 2HZ LYS 34 2HZ LYS 34 -4.303 10.571 -14.427 235 3HZ LYS 34 3HZ LYS 34 -2.764 11.016 -14.993 236 H SER 35 H SER 35 -1.534 10.682 -7.825 237 HA SER 35 HA SER 35 -0.948 13.043 -6.174 238 2HB SER 35 2HB SER 35 -2.300 12.126 -4.353 239 HG SER 35 HG SER 35 -3.281 13.309 -6.281 240 H TRP 36 H TRP 36 0.882 12.814 -5.036 241 HA TRP 36 HA TRP 36 2.316 10.328 -5.230 242 2HB TRP 36 2HB TRP 36 3.150 12.859 -3.805 243 HD1 TRP 36 HD TRP 36 4.791 11.750 -2.069 244 HE1 TRP 36 1HE TRP 36 6.936 10.333 -2.300 245 HE3 TRP 36 3HE TRP 36 4.525 10.701 -7.065 246 HZ2 TRP 36 2HZ TRP 36 8.304 8.956 -4.316 247 HZ3 TRP 36 3HZ TRP 36 6.303 9.316 -8.071 248 HH2 TRP 36 HH TRP 36 8.155 8.463 -6.725 249 H PHE 37 H PHE 37 2.539 8.832 -3.743 250 HA PHE 37 HA PHE 37 2.001 9.437 -0.931 251 2HB PHE 37 2HB PHE 37 -0.084 8.520 -1.513 252 HD1 PHE 37 1HD PHE 37 -0.991 8.414 -3.637 253 HD2 PHE 37 2HD PHE 37 1.945 5.552 -2.492 254 HE1 PHE 37 1HE PHE 37 -1.407 7.158 -5.708 255 HE2 PHE 37 2HE PHE 37 1.530 4.299 -4.562 256 HZ PHE 37 HZ PHE 37 -0.153 5.097 -6.169 257 H GLU 38 H GLU 38 4.381 8.859 -2.659 258 HA GLU 38 HA GLU 38 6.296 7.641 -2.664 259 2HB GLU 38 2HB GLU 38 6.900 6.539 -0.477 260 2HG GLU 38 2HG GLU 38 6.609 8.704 0.925 261 H LEU 39 H LEU 39 7.109 5.228 -1.995 262 HA LEU 39 HA LEU 39 4.991 3.272 -2.327 263 2HB LEU 39 2HB LEU 39 7.189 2.704 -4.163 264 HG LEU 39 HG LEU 39 5.579 1.967 -5.672 265 1HD1 LEU 39 1HD1 LEU 39 4.032 0.600 -4.448 266 2HD1 LEU 39 2HD1 LEU 39 4.216 1.611 -3.014 267 3HD1 LEU 39 3HD1 LEU 39 5.575 0.640 -3.592 268 1HD2 LEU 39 1HD2 LEU 39 3.546 3.685 -4.265 269 2HD2 LEU 39 2HD2 LEU 39 3.234 2.634 -5.647 270 3HD2 LEU 39 3HD2 LEU 39 4.301 4.028 -5.821 271 H GLU 40 H GLU 40 5.462 1.417 -1.263 272 HA GLU 40 HA GLU 40 8.269 0.810 -0.673 273 2HB GLU 40 2HB GLU 40 6.179 0.273 1.403 274 2HG GLU 40 2HG GLU 40 8.543 -0.607 1.552 275 H VAL 41 H VAL 41 8.725 -1.396 -0.627 276 HA VAL 41 HA VAL 41 6.478 -3.186 -1.288 277 HB VAL 41 HB VAL 41 9.212 -3.282 -2.590 278 1HG1 VAL 41 1HG1 VAL 41 6.740 -4.948 -3.074 279 2HG1 VAL 41 2HG1 VAL 41 8.222 -5.494 -2.290 280 3HG1 VAL 41 3HG1 VAL 41 8.244 -5.040 -3.995 281 1HG2 VAL 41 1HG2 VAL 41 6.540 -2.500 -3.760 282 2HG2 VAL 41 2HG2 VAL 41 8.054 -2.661 -4.656 283 3HG2 VAL 41 3HG2 VAL 41 7.883 -1.407 -3.425 284 H ILE 42 H ILE 42 6.303 -4.516 0.388 285 HA ILE 42 HA ILE 42 8.782 -5.608 1.542 286 HB ILE 42 HB ILE 42 6.256 -4.871 3.023 287 2HG1 ILE 42 2HG1 ILE 42 7.705 -2.969 2.394 288 1HG2 ILE 42 1HG2 ILE 42 8.794 -6.155 4.026 289 2HG2 ILE 42 2HG2 ILE 42 7.196 -6.895 3.956 290 3HG2 ILE 42 3HG2 ILE 42 7.493 -5.542 5.047 291 1HD1 ILE 42 1HD1 ILE 42 6.543 -2.838 4.543 292 2HD1 ILE 42 2HD1 ILE 42 8.089 -1.989 4.554 293 3HD1 ILE 42 3HD1 ILE 42 7.944 -3.572 5.326 294 H ASN 43 H ASN 43 8.905 -7.653 0.863 295 HA ASN 43 HA ASN 43 6.544 -9.269 0.471 296 2HB ASN 43 2HB ASN 43 8.198 -11.091 -0.041 297 1HD2 ASN 43 1HD2 ASN 43 7.367 -11.169 -2.018 298 2HD2 ASN 43 2HD2 ASN 43 7.699 -10.022 -3.271 299 H ILE 44 H ILE 44 5.500 -10.049 2.160 300 HA ILE 44 HA ILE 44 6.764 -10.484 4.701 301 HB ILE 44 HB ILE 44 4.591 -11.313 5.442 302 2HG1 ILE 44 2HG1 ILE 44 4.066 -12.482 3.279 303 1HG2 ILE 44 1HG2 ILE 44 4.946 -8.913 5.426 304 2HG2 ILE 44 2HG2 ILE 44 3.269 -9.281 5.024 305 3HG2 ILE 44 3HG2 ILE 44 4.399 -8.821 3.752 306 1HD1 ILE 44 1HD1 ILE 44 2.294 -12.203 4.928 307 2HD1 ILE 44 2HD1 ILE 44 1.684 -12.115 3.274 308 3HD1 ILE 44 3HD1 ILE 44 1.893 -10.639 4.217 309 H ASP 45 H ASP 45 6.847 -12.228 1.938 310 HA ASP 45 HA ASP 45 6.246 -14.857 2.718 311 2HB ASP 45 2HB ASP 45 8.205 -13.879 0.633 312 H GLY 46 H GLY 46 9.128 -12.907 3.066 313 1HA GLY 46 1HA GLY 46 10.562 -15.137 4.299 314 2HA GLY 46 2HA GLY 46 11.234 -13.560 3.903 315 H ASN 47 H ASN 47 8.314 -13.005 5.311 316 HA ASN 47 HA ASN 47 9.562 -12.612 7.951 317 2HB ASN 47 2HB ASN 47 7.873 -10.829 8.303 318 1HD2 ASN 47 1HD2 ASN 47 7.734 -9.060 5.940 319 2HD2 ASN 47 2HD2 ASN 47 9.345 -8.478 5.708 320 H GLU 48 H GLU 48 9.039 -14.411 9.025 321 HA GLU 48 HA GLU 48 6.753 -15.972 8.640 322 2HB GLU 48 2HB GLU 48 8.549 -15.750 11.067 323 2HG GLU 48 2HG GLU 48 8.032 -18.266 11.193 324 H HIS 49 H HIS 49 7.368 -13.344 10.934 325 HA HIS 49 HA HIS 49 4.999 -13.927 12.451 326 2HB HIS 49 2HB HIS 49 6.556 -11.355 12.608 327 HD1 HIS 49 1HD HIS 49 5.394 -9.949 14.271 328 HD2 HIS 49 2HD HIS 49 4.994 -14.004 15.115 329 HE1 HIS 49 1HE HIS 49 4.060 -10.077 16.403 330 H LEU 50 H LEU 50 5.853 -11.741 9.853 331 HA LEU 50 HA LEU 50 3.382 -10.285 9.979 332 2HB LEU 50 2HB LEU 50 4.067 -9.464 7.707 333 HG LEU 50 HG LEU 50 6.276 -9.209 9.748 334 1HD1 LEU 50 1HD1 LEU 50 6.935 -8.460 7.540 335 2HD1 LEU 50 2HD1 LEU 50 6.712 -7.078 8.615 336 3HD1 LEU 50 3HD1 LEU 50 5.478 -7.475 7.419 337 1HD2 LEU 50 1HD2 LEU 50 5.104 -7.178 10.462 338 2HD2 LEU 50 2HD2 LEU 50 4.123 -8.620 10.718 339 3HD2 LEU 50 3HD2 LEU 50 3.784 -7.556 9.353 340 H THR 51 H THR 51 4.494 -13.199 8.455 341 HA THR 51 HA THR 51 2.503 -13.545 6.520 342 HB THR 51 HB THR 51 4.020 -15.594 8.148 343 HG1 THR 51 1HG THR 51 5.346 -14.415 6.753 344 1HG2 THR 51 1HG2 THR 51 2.350 -16.036 5.667 345 2HG2 THR 51 2HG2 THR 51 1.926 -16.568 7.294 346 3HG2 THR 51 3HG2 THR 51 3.339 -17.247 6.485 347 H ARG 52 H ARG 52 2.518 -14.188 9.970 348 HA ARG 52 HA ARG 52 0.179 -15.682 10.222 349 2HB ARG 52 2HB ARG 52 0.103 -14.884 12.539 350 2HG ARG 52 2HG ARG 52 2.346 -15.419 13.318 351 2HD ARG 52 2HD ARG 52 2.630 -17.606 12.268 352 HE ARG 52 HE ARG 52 -0.029 -16.765 13.069 353 1HH1 ARG 52 1HH1 ARG 52 2.114 -19.428 12.294 354 2HH1 ARG 52 2HH1 ARG 52 1.094 -20.627 13.031 355 1HH2 ARG 52 1HH2 ARG 52 -1.366 -18.326 14.021 356 2HH2 ARG 52 2HH2 ARG 52 -0.902 -20.007 13.997 357 H LEU 53 H LEU 53 0.666 -12.264 9.744 358 HA LEU 53 HA LEU 53 -2.118 -11.641 10.316 359 2HB LEU 53 2HB LEU 53 -1.411 -9.304 9.874 360 HG LEU 53 HG LEU 53 0.235 -10.840 11.871 361 1HD1 LEU 53 1HD1 LEU 53 0.952 -8.701 12.789 362 2HD1 LEU 53 2HD1 LEU 53 0.167 -7.851 11.459 363 3HD1 LEU 53 3HD1 LEU 53 1.543 -8.907 11.143 364 1HD2 LEU 53 1HD2 LEU 53 -2.163 -10.619 12.302 365 2HD2 LEU 53 2HD2 LEU 53 -2.028 -8.868 12.145 366 3HD2 LEU 53 3HD2 LEU 53 -1.211 -9.702 13.466 367 H TYR 54 H TYR 54 0.148 -11.260 7.579 368 HA TYR 54 HA TYR 54 -2.149 -10.423 5.948 369 2HB TYR 54 2HB TYR 54 -0.520 -9.281 4.527 370 HD1 TYR 54 1HD TYR 54 1.287 -9.080 7.711 371 HD2 TYR 54 2HD TYR 54 -1.826 -7.401 5.346 372 HE1 TYR 54 1HE TYR 54 1.245 -7.111 9.182 373 HE2 TYR 54 2HE TYR 54 -1.873 -5.424 6.810 374 HH TYR 54 HH TYR 54 -1.256 -4.756 9.052 375 H ASN 55 H ASN 55 -0.841 -13.303 6.405 376 HA ASN 55 HA ASN 55 0.230 -14.194 4.010 377 2HB ASN 55 2HB ASN 55 -1.648 -15.738 5.813 378 1HD2 ASN 55 1HD2 ASN 55 -2.526 -17.168 4.391 379 2HD2 ASN 55 2HD2 ASN 55 -1.585 -18.262 3.433 380 H ASP 56 H ASP 56 -3.225 -14.382 4.875 381 HA ASP 56 HA ASP 56 -3.871 -14.963 2.097 382 2HB ASP 56 2HB ASP 56 -6.203 -15.224 2.984 383 H ARG 57 H ARG 57 -3.380 -12.239 3.844 384 HA ARG 57 HA ARG 57 -5.230 -10.713 2.144 385 2HB ARG 57 2HB ARG 57 -5.514 -9.052 3.857 386 2HG ARG 57 2HG ARG 57 -6.740 -11.364 4.164 387 2HD ARG 57 2HD ARG 57 -5.089 -11.131 6.681 388 HE ARG 57 HE ARG 57 -7.542 -12.485 6.222 389 1HH1 ARG 57 1HH1 ARG 57 -4.455 -12.769 7.869 390 2HH1 ARG 57 2HH1 ARG 57 -5.037 -13.938 9.013 391 1HH2 ARG 57 1HH2 ARG 57 -8.298 -14.024 7.722 392 2HH2 ARG 57 2HH2 ARG 57 -7.222 -14.646 8.940 393 H VAL 58 H VAL 58 -3.357 -10.825 0.685 394 HA VAL 58 HA VAL 58 -1.197 -9.071 1.495 395 HB VAL 58 HB VAL 58 -0.297 -9.998 -0.860 396 1HG1 VAL 58 1HG1 VAL 58 -0.062 -11.347 1.814 397 2HG1 VAL 58 2HG1 VAL 58 0.930 -10.024 1.196 398 3HG1 VAL 58 3HG1 VAL 58 1.012 -11.617 0.440 399 1HG2 VAL 58 1HG2 VAL 58 -2.145 -11.434 -1.340 400 2HG2 VAL 58 2HG2 VAL 58 -2.029 -12.198 0.247 401 3HG2 VAL 58 3HG2 VAL 58 -0.749 -12.439 -0.942 402 HA PRO 59 HA PRO 59 -0.220 -6.668 -1.878 403 2HB PRO 59 2HB PRO 59 -1.172 -6.238 -3.964 404 2HG PRO 59 2HG PRO 59 -0.596 -8.387 -4.409 405 2HD PRO 59 2HD PRO 59 -0.100 -9.357 -2.414 406 H VAL 60 H VAL 60 -0.694 -5.942 0.371 407 HA VAL 60 HA VAL 60 -3.169 -4.379 0.618 408 HB VAL 60 HB VAL 60 -1.958 -4.400 3.124 409 1HG1 VAL 60 1HG1 VAL 60 -3.797 -5.858 3.767 410 2HG1 VAL 60 2HG1 VAL 60 -4.089 -6.261 2.077 411 3HG1 VAL 60 3HG1 VAL 60 -4.355 -4.615 2.650 412 1HG2 VAL 60 1HG2 VAL 60 -1.789 -7.167 1.949 413 2HG2 VAL 60 2HG2 VAL 60 -1.433 -6.695 3.613 414 3HG2 VAL 60 3HG2 VAL 60 -0.403 -6.130 2.297 415 H LEU 61 H LEU 61 -3.168 -2.271 0.942 416 HA LEU 61 HA LEU 61 -0.629 -0.839 0.855 417 2HB LEU 61 2HB LEU 61 -2.097 1.170 0.558 418 HG LEU 61 HG LEU 61 -2.598 -1.043 -1.433 419 1HD1 LEU 61 1HD1 LEU 61 -3.119 0.764 -2.992 420 2HD1 LEU 61 2HD1 LEU 61 -2.967 1.936 -1.682 421 3HD1 LEU 61 3HD1 LEU 61 -4.249 0.725 -1.637 422 1HD2 LEU 61 1HD2 LEU 61 -0.512 1.134 -1.301 423 2HD2 LEU 61 2HD2 LEU 61 -0.793 0.091 -2.696 424 3HD2 LEU 61 3HD2 LEU 61 -0.235 -0.608 -1.174 425 H PHE 62 H PHE 62 0.284 -0.552 2.724 426 HA PHE 62 HA PHE 62 -1.289 -0.106 5.138 427 2HB PHE 62 2HB PHE 62 1.682 -0.430 4.684 428 HD1 PHE 62 1HD PHE 62 -0.428 -1.550 7.487 429 HD2 PHE 62 2HD PHE 62 2.620 1.130 6.198 430 HE1 PHE 62 1HE PHE 62 0.042 -0.962 9.829 431 HE2 PHE 62 2HE PHE 62 3.091 1.720 8.535 432 HZ PHE 62 HZ PHE 62 1.802 0.675 10.353 433 H ALA 63 H ALA 63 -1.682 1.849 5.908 434 HA ALA 63 HA ALA 63 -0.537 4.171 4.624 435 1HB ALA 63 1HB ALA 63 -2.079 5.450 6.029 436 2HB ALA 63 2HB ALA 63 -2.527 3.974 6.881 437 3HB ALA 63 3HB ALA 63 -2.911 4.152 5.169 438 H VAL 64 H VAL 64 1.497 4.609 5.194 439 HA VAL 64 HA VAL 64 2.557 4.188 7.810 440 HB VAL 64 HB VAL 64 3.611 5.800 5.472 441 1HG1 VAL 64 1HG1 VAL 64 5.023 4.918 7.990 442 2HG1 VAL 64 2HG1 VAL 64 4.694 6.579 7.496 443 3HG1 VAL 64 3HG1 VAL 64 5.817 5.587 6.563 444 1HG2 VAL 64 1HG2 VAL 64 3.386 3.482 4.903 445 2HG2 VAL 64 2HG2 VAL 64 4.135 2.989 6.420 446 3HG2 VAL 64 3HG2 VAL 64 5.094 3.810 5.194 447 H ASN 65 H ASN 65 3.311 5.880 9.259 448 HA ASN 65 HA ASN 65 3.087 7.766 10.508 449 2HB ASN 65 2HB ASN 65 1.884 9.773 9.640 450 1HD2 ASN 65 1HD2 ASN 65 2.547 10.216 6.812 451 2HD2 ASN 65 2HD2 ASN 65 4.277 10.288 6.737 452 H GLU 66 H GLU 66 0.209 6.552 8.915 453 HA GLU 66 HA GLU 66 -1.458 7.101 11.218 454 2HB GLU 66 2HB GLU 66 -3.114 5.704 9.782 455 2HG GLU 66 2HG GLU 66 -3.603 7.578 8.294 456 H ASP 67 H ASP 67 0.227 4.428 9.751 457 HA ASP 67 HA ASP 67 0.641 2.298 10.384 458 2HB ASP 67 2HB ASP 67 -0.248 3.083 13.166 459 H LYS 68 H LYS 68 -1.332 2.087 8.997 460 HA LYS 68 HA LYS 68 -3.196 0.266 10.217 461 2HB LYS 68 2HB LYS 68 -4.405 2.259 10.781 462 2HG LYS 68 2HG LYS 68 -3.727 3.159 8.011 463 2HD LYS 68 2HD LYS 68 -6.121 3.457 8.142 464 2HE LYS 68 2HE LYS 68 -6.452 3.364 10.549 465 1HZ LYS 68 1HZ LYS 68 -5.149 6.042 10.599 466 2HZ LYS 68 2HZ LYS 68 -4.581 4.623 11.345 467 3HZ LYS 68 3HZ LYS 68 -6.000 5.355 11.894 468 H GLU 69 H GLU 69 -4.351 -0.956 8.622 469 HA GLU 69 HA GLU 69 -3.198 -0.811 5.958 470 2HB GLU 69 2HB GLU 69 -4.400 -2.874 5.511 471 2HG GLU 69 2HG GLU 69 -2.339 -2.949 7.040 472 H LEU 70 H LEU 70 -4.358 -0.302 4.086 473 HA LEU 70 HA LEU 70 -6.974 0.979 4.569 474 2HB LEU 70 2HB LEU 70 -6.585 2.256 2.531 475 HG LEU 70 HG LEU 70 -4.055 2.481 4.154 476 1HD1 LEU 70 1HD1 LEU 70 -4.165 4.824 3.346 477 2HD1 LEU 70 2HD1 LEU 70 -5.539 4.371 2.330 478 3HD1 LEU 70 3HD1 LEU 70 -3.959 3.643 2.050 479 1HD2 LEU 70 1HD2 LEU 70 -5.207 4.166 5.481 480 2HD2 LEU 70 2HD2 LEU 70 -6.026 2.609 5.623 481 3HD2 LEU 70 3HD2 LEU 70 -6.703 3.869 4.590 482 H CYS 71 H CYS 71 -5.206 -0.876 2.092 483 HA CYS 71 HA CYS 71 -7.744 -1.986 1.148 484 2HB CYS 71 2HB CYS 71 -5.742 -0.559 -0.620 485 HG CYS 71 HG CYS 71 -8.388 -2.471 -1.391 486 H HIS 72 H HIS 72 -7.457 -3.838 -0.254 487 HA HIS 72 HA HIS 72 -4.778 -5.054 -0.149 488 2HB HIS 72 2HB HIS 72 -6.044 -6.190 1.548 489 HD1 HIS 72 1HD HIS 72 -8.360 -5.413 2.258 490 HD2 HIS 72 2HD HIS 72 -8.390 -7.683 -1.228 491 HE1 HIS 72 1HE HIS 72 -10.774 -5.942 1.811 492 H TYR 73 H TYR 73 -5.186 -7.303 -1.672 493 HA TYR 73 HA TYR 73 -5.089 -6.392 -4.254 494 2HB TYR 73 2HB TYR 73 -4.278 -8.546 -3.996 495 HD1 TYR 73 1HD TYR 73 -4.042 -9.610 -1.919 496 HD2 TYR 73 2HD TYR 73 -7.807 -9.623 -3.878 497 HE1 TYR 73 1HE TYR 73 -4.847 -11.320 -0.338 498 HE2 TYR 73 2HE TYR 73 -8.629 -11.325 -2.306 499 HH TYR 73 HH TYR 73 -6.876 -12.236 0.526 500 H PHE 74 H PHE 74 -6.459 -6.399 -6.042 501 HA PHE 74 HA PHE 74 -8.291 -5.599 -7.091 502 2HB PHE 74 2HB PHE 74 -10.586 -6.002 -5.895 503 HD1 PHE 74 1HD PHE 74 -11.237 -6.676 -8.051 504 HD2 PHE 74 2HD PHE 74 -8.428 -9.008 -5.855 505 HE1 PHE 74 1HE PHE 74 -11.455 -8.485 -9.705 506 HE2 PHE 74 2HE PHE 74 -8.642 -10.821 -7.510 507 HZ PHE 74 HZ PHE 74 -10.157 -10.561 -9.436 508 H LEU 75 H LEU 75 -7.675 -3.554 -6.956 509 HA LEU 75 HA LEU 75 -7.425 -2.010 -4.669 510 2HB LEU 75 2HB LEU 75 -7.941 -0.979 -7.450 511 HG LEU 75 HG LEU 75 -7.731 0.852 -5.845 512 1HD1 LEU 75 1HD1 LEU 75 -5.736 1.152 -4.516 513 2HD1 LEU 75 2HD1 LEU 75 -5.049 -0.339 -5.162 514 3HD1 LEU 75 3HD1 LEU 75 -6.473 -0.403 -4.120 515 1HD2 LEU 75 1HD2 LEU 75 -5.830 1.990 -6.864 516 2HD2 LEU 75 2HD2 LEU 75 -6.759 1.107 -8.077 517 3HD2 LEU 75 3HD2 LEU 75 -5.230 0.449 -7.483 518 H ASP 76 H ASP 76 -8.791 -0.967 -3.417 519 HA ASP 76 HA ASP 76 -11.611 -1.082 -3.909 520 2HB ASP 76 2HB ASP 76 -10.011 0.286 -1.728 521 H SER 77 H SER 77 -9.117 1.343 -4.019 522 HA SER 77 HA SER 77 -8.937 3.330 -5.071 523 2HB SER 77 2HB SER 77 -10.552 4.021 -6.742 524 HG SER 77 HG SER 77 -10.683 1.989 -7.931 525 H ASP 78 H ASP 78 -12.152 2.884 -3.603 526 HA ASP 78 HA ASP 78 -12.613 5.650 -3.201 527 2HB ASP 78 2HB ASP 78 -13.863 3.214 -1.927 528 H VAL 79 H VAL 79 -11.602 3.078 -0.937 529 HA VAL 79 HA VAL 79 -11.449 4.756 1.310 530 HB VAL 79 HB VAL 79 -10.059 2.150 0.716 531 1HG1 VAL 79 1HG1 VAL 79 -10.152 3.625 3.352 532 2HG1 VAL 79 2HG1 VAL 79 -8.718 3.407 2.347 533 3HG1 VAL 79 3HG1 VAL 79 -9.500 2.009 3.085 534 1HG2 VAL 79 1HG2 VAL 79 -12.451 2.006 0.897 535 2HG2 VAL 79 2HG2 VAL 79 -12.430 2.924 2.403 536 3HG2 VAL 79 3HG2 VAL 79 -11.723 1.306 2.342 537 H ILE 80 H ILE 80 -8.782 3.700 -0.856 538 HA ILE 80 HA ILE 80 -6.901 5.380 0.462 539 HB ILE 80 HB ILE 80 -6.077 3.513 -0.841 540 2HG1 ILE 80 2HG1 ILE 80 -5.258 6.193 -1.975 541 1HG2 ILE 80 1HG2 ILE 80 -6.159 3.462 -3.234 542 2HG2 ILE 80 2HG2 ILE 80 -7.072 4.970 -3.260 543 3HG2 ILE 80 3HG2 ILE 80 -7.788 3.512 -2.566 544 1HD1 ILE 80 1HD1 ILE 80 -3.411 6.083 -0.414 545 2HD1 ILE 80 2HD1 ILE 80 -4.027 4.559 0.228 546 3HD1 ILE 80 3HD1 ILE 80 -4.954 6.045 0.437 547 H GLY 81 H GLY 81 -9.180 5.886 -2.148 548 1HA GLY 81 1HA GLY 81 -8.180 8.370 -3.055 549 2HA GLY 81 2HA GLY 81 -9.844 7.814 -3.194 550 H ALA 82 H ALA 82 -10.492 7.527 -0.518 551 HA ALA 82 HA ALA 82 -11.138 10.146 0.301 552 1HB ALA 82 1HB ALA 82 -12.489 8.222 0.934 553 2HB ALA 82 2HB ALA 82 -11.908 9.050 2.379 554 3HB ALA 82 3HB ALA 82 -11.141 7.550 1.855 555 H TYR 83 H TYR 83 -8.413 8.107 0.884 556 HA TYR 83 HA TYR 83 -7.436 9.694 3.098 557 2HB TYR 83 2HB TYR 83 -6.341 7.280 1.644 558 HD1 TYR 83 1HD TYR 83 -4.033 7.591 1.427 559 HD2 TYR 83 2HD TYR 83 -5.901 8.398 5.159 560 HE1 TYR 83 1HE TYR 83 -1.824 7.784 2.474 561 HE2 TYR 83 2HE TYR 83 -3.692 8.600 6.223 562 HH TYR 83 HH TYR 83 -1.385 7.844 5.835 563 H LEU 84 H LEU 84 -6.448 8.974 -0.227 564 HA LEU 84 HA LEU 84 -4.068 10.558 -0.033 565 2HB LEU 84 2HB LEU 84 -4.744 9.998 -2.746 566 HG LEU 84 HG LEU 84 -2.904 8.317 -2.611 567 1HD1 LEU 84 1HD1 LEU 84 -2.436 10.649 -3.167 568 2HD1 LEU 84 2HD1 LEU 84 -1.131 9.965 -2.197 569 3HD1 LEU 84 3HD1 LEU 84 -2.312 11.045 -1.451 570 1HD2 LEU 84 1HD2 LEU 84 -3.226 7.611 -0.306 571 2HD2 LEU 84 2HD2 LEU 84 -2.771 9.216 0.262 572 3HD2 LEU 84 3HD2 LEU 84 -1.585 8.201 -0.559 573 H SER 85 H SER 85 -7.280 11.059 -1.421 574 HA SER 85 HA SER 85 -6.360 13.713 -2.299 575 2HB SER 85 2HB SER 85 -6.809 12.573 -4.303 576 HG SER 85 HG SER 85 -8.802 11.337 -2.816 Start of MODEL 12 1 HA MET 1 HA MET 1 1.887 32.631 4.719 2 2HB MET 1 2HB MET 1 4.536 33.361 5.989 3 2HG MET 1 2HG MET 1 3.732 33.490 3.093 4 1HE MET 1 1HE MET 1 7.881 34.395 4.922 5 2HE MET 1 2HE MET 1 7.185 32.777 4.799 6 3HE MET 1 3HE MET 1 6.477 33.960 5.899 7 H ASN 2 H ASN 2 1.376 30.441 4.792 8 HA ASN 2 HA ASN 2 3.419 28.611 4.331 9 2HB ASN 2 2HB ASN 2 3.966 28.735 6.697 10 1HD2 ASN 2 1HD2 ASN 2 2.535 26.643 8.310 11 2HD2 ASN 2 2HD2 ASN 2 1.284 27.515 9.131 12 H ASN 3 H ASN 3 2.525 27.141 3.077 13 HA ASN 3 HA ASN 3 -0.057 26.001 3.898 14 2HB ASN 3 2HB ASN 3 0.832 26.424 1.028 15 1HD2 ASN 3 1HD2 ASN 3 -0.552 25.659 -0.536 16 2HD2 ASN 3 2HD2 ASN 3 -1.812 24.527 -0.206 17 H GLN 4 H GLN 4 1.243 24.496 5.042 18 HA GLN 4 HA GLN 4 3.248 23.020 3.576 19 2HB GLN 4 2HB GLN 4 2.322 22.747 6.439 20 2HG GLN 4 2HG GLN 4 4.733 21.623 5.044 21 1HE2 GLN 4 1HE2 GLN 4 6.266 20.611 6.325 22 2HE2 GLN 4 2HE2 GLN 4 6.494 21.038 7.986 23 H VAL 5 H VAL 5 2.025 21.960 2.051 24 HA VAL 5 HA VAL 5 0.448 19.703 3.061 25 HB VAL 5 HB VAL 5 -0.212 19.360 0.678 26 1HG1 VAL 5 1HG1 VAL 5 -0.802 22.081 1.837 27 2HG1 VAL 5 2HG1 VAL 5 -1.663 20.584 2.194 28 3HG1 VAL 5 3HG1 VAL 5 -1.741 21.282 0.575 29 1HG2 VAL 5 1HG2 VAL 5 1.725 20.446 -0.359 30 2HG2 VAL 5 2HG2 VAL 5 1.170 22.006 0.249 31 3HG2 VAL 5 3HG2 VAL 5 0.208 21.132 -0.945 32 H GLU 6 H GLU 6 1.212 17.682 2.896 33 HA GLU 6 HA GLU 6 3.800 17.336 1.564 34 2HB GLU 6 2HB GLU 6 4.716 16.253 3.529 35 2HG GLU 6 2HG GLU 6 3.378 18.797 4.423 36 HA PRO 7 HA PRO 7 2.197 13.620 -0.017 37 2HB PRO 7 2HB PRO 7 4.201 13.360 -1.110 38 2HG PRO 7 2HG PRO 7 6.231 13.803 -0.045 39 2HD PRO 7 2HD PRO 7 5.054 15.768 0.308 40 H ARG 8 H ARG 8 2.017 11.223 0.313 41 HA ARG 8 HA ARG 8 1.780 10.630 3.189 42 2HB ARG 8 2HB ARG 8 0.036 9.068 2.611 43 2HG ARG 8 2HG ARG 8 -1.605 10.428 1.292 44 2HD ARG 8 2HD ARG 8 -1.277 10.658 3.775 45 HE ARG 8 HE ARG 8 0.917 12.063 3.396 46 1HH1 ARG 8 1HH1 ARG 8 -2.247 13.248 4.324 47 2HH1 ARG 8 2HH1 ARG 8 -1.613 14.533 5.306 48 1HH2 ARG 8 1HH2 ARG 8 1.744 13.758 4.683 49 2HH2 ARG 8 2HH2 ARG 8 0.645 14.823 5.513 50 H LYS 9 H LYS 9 1.684 7.914 3.210 51 HA LYS 9 HA LYS 9 3.686 6.877 1.387 52 2HB LYS 9 2HB LYS 9 4.013 6.461 4.357 53 2HG LYS 9 2HG LYS 9 5.795 5.718 2.050 54 2HD LYS 9 2HD LYS 9 6.060 5.003 4.964 55 2HE LYS 9 2HE LYS 9 7.960 4.657 2.651 56 1HZ LYS 9 1HZ LYS 9 9.175 3.251 4.164 57 2HZ LYS 9 2HZ LYS 9 8.042 3.523 5.391 58 3HZ LYS 9 3HZ LYS 9 9.013 4.800 4.844 59 H LEU 10 H LEU 10 3.118 4.986 0.640 60 HA LEU 10 HA LEU 10 1.157 3.401 2.162 61 2HB LEU 10 2HB LEU 10 0.451 2.454 0.013 62 HG LEU 10 HG LEU 10 0.451 5.463 -0.204 63 1HD1 LEU 10 1HD1 LEU 10 -1.513 5.147 -1.574 64 2HD1 LEU 10 2HD1 LEU 10 -1.408 3.399 -1.372 65 3HD1 LEU 10 3HD1 LEU 10 -0.154 4.262 -2.261 66 1HD2 LEU 10 1HD2 LEU 10 -1.733 5.341 0.901 67 2HD2 LEU 10 2HD2 LEU 10 -0.437 4.773 1.951 68 3HD2 LEU 10 3HD2 LEU 10 -1.505 3.614 1.158 69 H VAL 11 H VAL 11 1.774 1.451 2.818 70 HA VAL 11 HA VAL 11 4.190 0.288 1.607 71 HB VAL 11 HB VAL 11 2.923 -0.295 4.292 72 1HG1 VAL 11 1HG1 VAL 11 3.864 -2.308 3.213 73 2HG1 VAL 11 2HG1 VAL 11 4.756 -1.837 4.665 74 3HG1 VAL 11 3HG1 VAL 11 5.417 -1.480 3.069 75 1HG2 VAL 11 1HG2 VAL 11 4.987 0.627 5.212 76 2HG2 VAL 11 2HG2 VAL 11 4.159 1.815 4.209 77 3HG2 VAL 11 3HG2 VAL 11 5.573 0.967 3.583 78 H VAL 12 H VAL 12 3.950 -1.424 0.360 79 HA VAL 12 HA VAL 12 1.410 -2.886 0.509 80 HB VAL 12 HB VAL 12 3.374 -2.610 -1.759 81 1HG1 VAL 12 1HG1 VAL 12 0.957 -4.399 -1.589 82 2HG1 VAL 12 2HG1 VAL 12 2.637 -4.932 -1.624 83 3HG1 VAL 12 3HG1 VAL 12 1.934 -4.129 -3.032 84 1HG2 VAL 12 1HG2 VAL 12 1.469 -1.694 -2.955 85 2HG2 VAL 12 2HG2 VAL 12 1.795 -0.779 -1.481 86 3HG2 VAL 12 3HG2 VAL 12 0.459 -1.929 -1.529 87 H TYR 13 H TYR 13 1.610 -4.542 1.838 88 HA TYR 13 HA TYR 13 4.053 -6.076 2.003 89 2HB TYR 13 2HB TYR 13 2.707 -7.527 3.549 90 HD1 TYR 13 1HD TYR 13 4.731 -6.583 4.690 91 HD2 TYR 13 2HD TYR 13 1.075 -4.427 4.405 92 HE1 TYR 13 1HE TYR 13 5.469 -5.101 6.508 93 HE2 TYR 13 2HE TYR 13 1.802 -2.941 6.222 94 HH TYR 13 HH TYR 13 5.000 -2.838 7.343 95 H GLY 14 H GLY 14 4.553 -7.462 0.449 96 1HA GLY 14 1HA GLY 14 2.325 -8.659 -1.074 97 2HA GLY 14 2HA GLY 14 3.872 -8.216 -1.783 98 H ARG 15 H ARG 15 2.984 -10.627 -2.289 99 HA ARG 15 HA ARG 15 4.956 -12.354 -1.090 100 2HB ARG 15 2HB ARG 15 2.055 -13.158 -0.912 101 2HG ARG 15 2HG ARG 15 4.455 -14.205 0.573 102 2HD ARG 15 2HD ARG 15 1.669 -15.336 0.438 103 HE ARG 15 HE ARG 15 4.067 -16.120 1.910 104 1HH1 ARG 15 1HH1 ARG 15 0.637 -16.594 1.347 105 2HH1 ARG 15 2HH1 ARG 15 0.581 -18.105 2.206 106 1HH2 ARG 15 1HH2 ARG 15 3.991 -18.072 3.036 107 2HH2 ARG 15 2HH2 ARG 15 2.495 -18.953 3.157 108 H GLU 16 H GLU 16 4.075 -11.132 -3.620 109 HA GLU 16 HA GLU 16 3.703 -11.530 -5.805 110 2HB GLU 16 2HB GLU 16 4.386 -13.737 -6.720 111 2HG GLU 16 2HG GLU 16 6.327 -12.606 -4.714 112 H GLY 17 H GLY 17 2.839 -14.850 -5.346 113 1HA GLY 17 1HA GLY 17 0.793 -15.886 -5.031 114 2HA GLY 17 2HA GLY 17 0.064 -14.311 -4.778 115 H CYS 18 H CYS 18 -0.574 -13.064 -6.638 116 HA CYS 18 HA CYS 18 -0.819 -14.589 -9.113 117 2HB CYS 18 2HB CYS 18 -3.280 -13.498 -7.747 118 HG CYS 18 HG CYS 18 -2.954 -15.750 -10.311 119 H HIS 19 H HIS 19 -2.783 -12.959 -10.305 120 HA HIS 19 HA HIS 19 -0.960 -11.027 -11.323 121 2HB HIS 19 2HB HIS 19 -3.019 -10.350 -12.725 122 HD1 HIS 19 1HD HIS 19 -1.885 -10.838 -14.858 123 HD2 HIS 19 2HD HIS 19 -2.130 -14.210 -12.433 124 HE1 HIS 19 1HE HIS 19 -0.908 -12.720 -16.211 125 H LEU 20 H LEU 20 -3.686 -10.781 -9.103 126 HA LEU 20 HA LEU 20 -4.245 -8.077 -9.343 127 2HB LEU 20 2HB LEU 20 -4.797 -8.194 -6.844 128 HG LEU 20 HG LEU 20 -6.084 -10.325 -8.550 129 1HD1 LEU 20 1HD1 LEU 20 -8.010 -9.990 -7.122 130 2HD1 LEU 20 2HD1 LEU 20 -7.146 -8.758 -6.201 131 3HD1 LEU 20 3HD1 LEU 20 -6.608 -10.439 -6.153 132 1HD2 LEU 20 1HD2 LEU 20 -7.689 -8.619 -9.200 133 2HD2 LEU 20 2HD2 LEU 20 -6.060 -8.164 -9.704 134 3HD2 LEU 20 3HD2 LEU 20 -6.793 -7.406 -8.290 135 H CYS 21 H CYS 21 -1.505 -9.595 -7.820 136 HA CYS 21 HA CYS 21 -0.589 -7.458 -6.256 137 2HB CYS 21 2HB CYS 21 1.120 -9.503 -7.681 138 HG CYS 21 HG CYS 21 2.509 -7.285 -6.346 139 H GLU 22 H GLU 22 0.174 -8.328 -9.643 140 HA GLU 22 HA GLU 22 1.940 -6.091 -9.966 141 2HB GLU 22 2HB GLU 22 2.291 -8.095 -11.300 142 2HG GLU 22 2HG GLU 22 -0.329 -7.443 -12.629 143 H GLU 23 H GLU 23 -1.438 -6.727 -10.609 144 HA GLU 23 HA GLU 23 -2.035 -4.488 -12.198 145 2HB GLU 23 2HB GLU 23 -4.366 -4.815 -11.393 146 2HG GLU 23 2HG GLU 23 -2.932 -7.388 -12.015 147 H MET 24 H MET 24 -1.967 -4.941 -8.701 148 HA MET 24 HA MET 24 -2.764 -2.323 -7.995 149 2HB MET 24 2HB MET 24 -1.606 -2.837 -5.820 150 2HG MET 24 2HG MET 24 -2.981 -4.854 -5.242 151 1HE MET 24 1HE MET 24 -4.449 -1.565 -3.858 152 2HE MET 24 2HE MET 24 -2.814 -1.866 -4.445 153 3HE MET 24 3HE MET 24 -3.645 -3.088 -3.479 154 H ILE 25 H ILE 25 0.443 -3.768 -8.473 155 HA ILE 25 HA ILE 25 2.001 -1.600 -7.679 156 HB ILE 25 HB ILE 25 2.612 -3.695 -9.768 157 2HG1 ILE 25 2HG1 ILE 25 2.178 -4.536 -7.477 158 1HG2 ILE 25 1HG2 ILE 25 4.033 -1.771 -10.129 159 2HG2 ILE 25 2HG2 ILE 25 4.975 -3.090 -9.431 160 3HG2 ILE 25 3HG2 ILE 25 4.468 -1.738 -8.419 161 1HD1 ILE 25 1HD1 ILE 25 5.099 -4.668 -8.193 162 2HD1 ILE 25 2HD1 ILE 25 3.834 -5.736 -8.804 163 3HD1 ILE 25 3HD1 ILE 25 4.243 -5.744 -7.089 164 H ALA 26 H ALA 26 0.802 -2.396 -10.931 165 HA ALA 26 HA ALA 26 1.982 -0.228 -12.272 166 1HB ALA 26 1HB ALA 26 1.035 -2.171 -13.426 167 2HB ALA 26 2HB ALA 26 0.370 -0.662 -14.050 168 3HB ALA 26 3HB ALA 26 -0.585 -1.661 -12.954 169 H SER 27 H SER 27 -1.112 -0.546 -10.617 170 HA SER 27 HA SER 27 -2.193 1.946 -11.369 171 2HB SER 27 2HB SER 27 -3.733 1.580 -9.450 172 HG SER 27 HG SER 27 -3.394 -0.951 -10.616 173 H LEU 28 H LEU 28 -0.169 0.951 -8.660 174 HA LEU 28 HA LEU 28 -0.314 3.338 -7.176 175 2HB LEU 28 2HB LEU 28 1.737 2.558 -6.073 176 HG LEU 28 HG LEU 28 -0.124 0.249 -6.615 177 1HD1 LEU 28 1HD1 LEU 28 1.888 0.664 -4.413 178 2HD1 LEU 28 2HD1 LEU 28 2.009 -0.507 -5.726 179 3HD1 LEU 28 3HD1 LEU 28 0.734 -0.665 -4.519 180 1HD2 LEU 28 1HD2 LEU 28 -1.173 0.899 -4.506 181 2HD2 LEU 28 2HD2 LEU 28 -1.271 2.196 -5.697 182 3HD2 LEU 28 3HD2 LEU 28 -0.087 2.283 -4.392 183 H ARG 29 H ARG 29 1.782 2.315 -9.810 184 HA ARG 29 HA ARG 29 3.699 4.362 -9.587 185 2HB ARG 29 2HB ARG 29 4.325 3.789 -11.891 186 2HG ARG 29 2HG ARG 29 4.798 1.441 -11.656 187 2HD ARG 29 2HD ARG 29 5.788 1.401 -9.394 188 HE ARG 29 HE ARG 29 6.221 3.714 -11.114 189 1HH1 ARG 29 1HH1 ARG 29 7.295 1.838 -8.369 190 2HH1 ARG 29 2HH1 ARG 29 8.937 2.400 -8.440 191 1HH2 ARG 29 1HH2 ARG 29 8.385 4.479 -11.229 192 2HH2 ARG 29 2HH2 ARG 29 9.551 3.924 -10.061 193 H VAL 30 H VAL 30 0.691 4.148 -11.438 194 HA VAL 30 HA VAL 30 1.048 6.664 -12.736 195 HB VAL 30 HB VAL 30 -1.497 5.083 -12.330 196 1HG1 VAL 30 1HG1 VAL 30 -2.011 7.397 -12.835 197 2HG1 VAL 30 2HG1 VAL 30 -2.330 6.404 -14.259 198 3HG1 VAL 30 3HG1 VAL 30 -0.868 7.390 -14.178 199 1HG2 VAL 30 1HG2 VAL 30 0.463 5.166 -14.621 200 2HG2 VAL 30 2HG2 VAL 30 -1.106 4.358 -14.661 201 3HG2 VAL 30 3HG2 VAL 30 0.146 3.801 -13.549 202 H LEU 31 H LEU 31 -0.739 5.616 -9.856 203 HA LEU 31 HA LEU 31 -1.948 8.133 -9.363 204 2HB LEU 31 2HB LEU 31 -1.347 6.430 -7.025 205 HG LEU 31 HG LEU 31 -4.007 7.321 -8.150 206 1HD1 LEU 31 1HD1 LEU 31 -4.148 5.337 -6.749 207 2HD1 LEU 31 2HD1 LEU 31 -4.873 6.735 -5.955 208 3HD1 LEU 31 3HD1 LEU 31 -3.272 6.177 -5.465 209 1HD2 LEU 31 1HD2 LEU 31 -2.661 9.246 -7.481 210 2HD2 LEU 31 2HD2 LEU 31 -2.387 8.510 -5.902 211 3HD2 LEU 31 3HD2 LEU 31 -4.014 8.997 -6.380 212 H GLN 32 H GLN 32 1.162 6.743 -8.505 213 HA GLN 32 HA GLN 32 2.062 8.610 -6.632 214 2HB GLN 32 2HB GLN 32 4.244 7.967 -8.328 215 2HG GLN 32 2HG GLN 32 3.392 6.435 -5.888 216 1HE2 GLN 32 1HE2 GLN 32 5.104 5.366 -4.862 217 2HE2 GLN 32 2HE2 GLN 32 6.607 5.051 -5.673 218 H LYS 33 H LYS 33 1.674 8.865 -10.074 219 HA LYS 33 HA LYS 33 3.320 11.209 -10.375 220 2HB LYS 33 2HB LYS 33 2.520 11.228 -12.670 221 2HG LYS 33 2HG LYS 33 2.966 8.351 -11.935 222 2HD LYS 33 2HD LYS 33 4.209 8.341 -14.048 223 2HE LYS 33 2HE LYS 33 1.400 9.411 -14.313 224 1HZ LYS 33 1HZ LYS 33 2.585 9.418 -16.417 225 2HZ LYS 33 2HZ LYS 33 1.379 8.223 -16.407 226 3HZ LYS 33 3HZ LYS 33 3.005 7.785 -16.215 227 H LYS 34 H LYS 34 0.219 10.601 -9.236 228 HA LYS 34 HA LYS 34 -0.794 13.258 -9.988 229 2HB LYS 34 2HB LYS 34 -2.977 12.434 -9.506 230 2HG LYS 34 2HG LYS 34 -1.453 10.157 -10.763 231 2HD LYS 34 2HD LYS 34 -3.998 10.012 -9.892 232 2HE LYS 34 2HE LYS 34 -5.494 10.316 -11.794 233 1HZ LYS 34 1HZ LYS 34 -4.045 12.861 -11.292 234 2HZ LYS 34 2HZ LYS 34 -5.177 12.187 -10.218 235 3HZ LYS 34 3HZ LYS 34 -5.662 12.675 -11.762 236 H SER 35 H SER 35 -0.245 11.086 -7.288 237 HA SER 35 HA SER 35 0.123 13.330 -5.479 238 2HB SER 35 2HB SER 35 -1.391 12.378 -3.785 239 HG SER 35 HG SER 35 -2.186 13.427 -6.122 240 H TRP 36 H TRP 36 2.015 12.933 -4.457 241 HA TRP 36 HA TRP 36 3.256 10.381 -4.740 242 2HB TRP 36 2HB TRP 36 4.174 12.694 -3.027 243 HD1 TRP 36 HD TRP 36 5.565 11.236 -1.320 244 HE1 TRP 36 1HE TRP 36 7.613 9.688 -1.568 245 HE3 TRP 36 3HE TRP 36 5.671 10.856 -6.412 246 HZ2 TRP 36 2HZ TRP 36 9.065 8.482 -3.634 247 HZ3 TRP 36 3HZ TRP 36 7.430 9.479 -7.451 248 HH2 TRP 36 HH TRP 36 9.094 8.316 -6.091 249 H PHE 37 H PHE 37 3.262 8.706 -3.437 250 HA PHE 37 HA PHE 37 2.680 9.086 -0.597 251 2HB PHE 37 2HB PHE 37 0.548 8.421 -1.360 252 HD1 PHE 37 1HD PHE 37 2.448 5.387 -2.431 253 HD2 PHE 37 2HD PHE 37 -0.374 8.397 -3.456 254 HE1 PHE 37 1HE PHE 37 1.985 4.226 -4.548 255 HE2 PHE 37 2HE PHE 37 -0.840 7.250 -5.570 256 HZ PHE 37 HZ PHE 37 0.338 5.158 -6.126 257 H GLU 38 H GLU 38 5.076 8.445 -2.310 258 HA GLU 38 HA GLU 38 6.906 7.077 -2.291 259 2HB GLU 38 2HB GLU 38 7.258 5.726 -0.187 260 2HG GLU 38 2HG GLU 38 7.083 7.736 1.405 261 H LEU 39 H LEU 39 7.521 4.582 -1.920 262 HA LEU 39 HA LEU 39 5.239 2.834 -2.070 263 2HB LEU 39 2HB LEU 39 7.208 2.628 -4.332 264 HG LEU 39 HG LEU 39 6.103 0.555 -4.162 265 1HD1 LEU 39 1HD1 LEU 39 3.692 0.329 -3.809 266 2HD1 LEU 39 2HD1 LEU 39 3.540 2.083 -3.709 267 3HD1 LEU 39 3HD1 LEU 39 4.450 1.205 -2.480 268 1HD2 LEU 39 1HD2 LEU 39 6.012 1.486 -6.424 269 2HD2 LEU 39 2HD2 LEU 39 4.465 2.249 -6.048 270 3HD2 LEU 39 3HD2 LEU 39 4.593 0.490 -6.086 271 H GLU 40 H GLU 40 5.724 1.503 -0.492 272 HA GLU 40 HA GLU 40 8.449 0.393 -0.412 273 2HB GLU 40 2HB GLU 40 6.487 0.549 1.882 274 2HG GLU 40 2HG GLU 40 9.388 -0.169 1.709 275 H VAL 41 H VAL 41 8.564 -1.617 -1.071 276 HA VAL 41 HA VAL 41 6.144 -3.293 -0.953 277 HB VAL 41 HB VAL 41 8.498 -3.578 -2.837 278 1HG1 VAL 41 1HG1 VAL 41 7.400 -5.700 -2.341 279 2HG1 VAL 41 2HG1 VAL 41 7.104 -5.198 -4.005 280 3HG1 VAL 41 3HG1 VAL 41 5.842 -5.001 -2.789 281 1HG2 VAL 41 1HG2 VAL 41 5.730 -2.498 -3.331 282 2HG2 VAL 41 2HG2 VAL 41 6.926 -2.837 -4.581 283 3HG2 VAL 41 3HG2 VAL 41 7.240 -1.588 -3.376 284 H ILE 42 H ILE 42 6.236 -4.676 0.674 285 HA ILE 42 HA ILE 42 8.854 -5.847 1.362 286 HB ILE 42 HB ILE 42 6.580 -5.227 3.250 287 2HG1 ILE 42 2HG1 ILE 42 7.786 -3.223 2.443 288 1HG2 ILE 42 1HG2 ILE 42 8.156 -5.890 5.012 289 2HG2 ILE 42 2HG2 ILE 42 9.335 -6.346 3.781 290 3HG2 ILE 42 3HG2 ILE 42 7.810 -7.224 3.911 291 1HD1 ILE 42 1HD1 ILE 42 8.585 -3.889 5.262 292 2HD1 ILE 42 2HD1 ILE 42 7.036 -3.203 4.771 293 3HD1 ILE 42 3HD1 ILE 42 8.523 -2.283 4.536 294 H ASN 43 H ASN 43 8.875 -7.886 0.679 295 HA ASN 43 HA ASN 43 6.453 -9.438 0.486 296 2HB ASN 43 2HB ASN 43 8.034 -11.272 -0.262 297 1HD2 ASN 43 1HD2 ASN 43 6.511 -11.029 -1.879 298 2HD2 ASN 43 2HD2 ASN 43 6.748 -9.976 -3.228 299 H ILE 44 H ILE 44 5.587 -10.442 2.136 300 HA ILE 44 HA ILE 44 7.049 -10.637 4.606 301 HB ILE 44 HB ILE 44 4.984 -11.343 5.623 302 2HG1 ILE 44 2HG1 ILE 44 4.263 -12.868 3.781 303 1HG2 ILE 44 1HG2 ILE 44 4.517 -9.175 3.582 304 2HG2 ILE 44 2HG2 ILE 44 5.229 -8.972 5.184 305 3HG2 ILE 44 3HG2 ILE 44 3.539 -9.451 5.024 306 1HD1 ILE 44 1HD1 ILE 44 2.143 -10.860 4.484 307 2HD1 ILE 44 2HD1 ILE 44 2.621 -12.224 5.492 308 3HD1 ILE 44 3HD1 ILE 44 1.889 -12.509 3.914 309 H ASP 45 H ASP 45 7.045 -12.605 2.000 310 HA ASP 45 HA ASP 45 6.567 -15.176 3.015 311 2HB ASP 45 2HB ASP 45 8.470 -14.341 0.819 312 H GLY 46 H GLY 46 9.462 -13.175 3.003 313 1HA GLY 46 1HA GLY 46 11.090 -15.289 4.128 314 2HA GLY 46 2HA GLY 46 11.614 -13.654 3.748 315 H ASN 47 H ASN 47 8.757 -13.606 5.523 316 HA ASN 47 HA ASN 47 10.165 -13.551 8.092 317 2HB ASN 47 2HB ASN 47 8.849 -11.470 8.699 318 1HD2 ASN 47 1HD2 ASN 47 10.013 -10.612 5.569 319 2HD2 ASN 47 2HD2 ASN 47 11.536 -9.972 6.078 320 H GLU 48 H GLU 48 9.153 -15.345 8.849 321 HA GLU 48 HA GLU 48 6.503 -16.099 8.557 322 2HB GLU 48 2HB GLU 48 6.784 -17.452 10.580 323 2HG GLU 48 2HG GLU 48 8.044 -18.113 8.470 324 H HIS 49 H HIS 49 7.965 -13.832 10.767 325 HA HIS 49 HA HIS 49 5.894 -13.452 12.598 326 2HB HIS 49 2HB HIS 49 6.896 -11.307 13.098 327 HD1 HIS 49 1HD HIS 49 10.120 -11.365 12.176 328 HD2 HIS 49 2HD HIS 49 7.864 -14.195 14.232 329 HE1 HIS 49 1HE HIS 49 11.782 -12.767 13.447 330 H LEU 50 H LEU 50 6.553 -11.773 9.540 331 HA LEU 50 HA LEU 50 4.130 -10.242 9.674 332 2HB LEU 50 2HB LEU 50 4.751 -9.526 7.386 333 HG LEU 50 HG LEU 50 7.133 -9.438 9.235 334 1HD1 LEU 50 1HD1 LEU 50 7.699 -8.844 6.953 335 2HD1 LEU 50 2HD1 LEU 50 7.709 -7.410 7.982 336 3HD1 LEU 50 3HD1 LEU 50 6.348 -7.708 6.899 337 1HD2 LEU 50 1HD2 LEU 50 5.097 -8.587 10.307 338 2HD2 LEU 50 2HD2 LEU 50 4.836 -7.501 8.940 339 3HD2 LEU 50 3HD2 LEU 50 6.249 -7.294 9.976 340 H THR 51 H THR 51 5.111 -13.294 8.334 341 HA THR 51 HA THR 51 3.195 -13.671 6.359 342 HB THR 51 HB THR 51 4.308 -15.768 8.232 343 HG1 THR 51 1HG THR 51 5.575 -14.315 6.458 344 1HG2 THR 51 1HG2 THR 51 3.736 -17.364 6.479 345 2HG2 THR 51 2HG2 THR 51 3.054 -16.066 5.499 346 3HG2 THR 51 3HG2 THR 51 2.291 -16.510 7.027 347 H ARG 52 H ARG 52 2.979 -14.420 9.834 348 HA ARG 52 HA ARG 52 0.402 -15.571 9.660 349 2HB ARG 52 2HB ARG 52 0.371 -15.486 12.086 350 2HG ARG 52 2HG ARG 52 3.243 -15.957 11.363 351 2HD ARG 52 2HD ARG 52 2.468 -16.149 13.735 352 HE ARG 52 HE ARG 52 0.578 -18.037 12.584 353 1HH1 ARG 52 1HH1 ARG 52 2.122 -16.787 15.469 354 2HH1 ARG 52 2HH1 ARG 52 0.999 -17.540 16.561 355 1HH2 ARG 52 1HH2 ARG 52 -0.907 -19.045 14.013 356 2HH2 ARG 52 2HH2 ARG 52 -0.725 -18.828 15.730 357 H LEU 53 H LEU 53 1.538 -12.312 10.091 358 HA LEU 53 HA LEU 53 -0.856 -11.126 10.980 359 2HB LEU 53 2HB LEU 53 0.183 -9.028 9.959 360 HG LEU 53 HG LEU 53 1.809 -10.614 11.944 361 1HD1 LEU 53 1HD1 LEU 53 2.065 -7.715 11.149 362 2HD1 LEU 53 2HD1 LEU 53 3.233 -8.986 10.793 363 3HD1 LEU 53 3HD1 LEU 53 2.931 -8.509 12.464 364 1HD2 LEU 53 1HD2 LEU 53 -0.419 -10.017 12.697 365 2HD2 LEU 53 2HD2 LEU 53 -0.149 -8.342 12.217 366 3HD2 LEU 53 3HD2 LEU 53 0.788 -9.042 13.538 367 H TYR 54 H TYR 54 0.479 -11.581 7.712 368 HA TYR 54 HA TYR 54 -2.091 -10.602 6.644 369 2HB TYR 54 2HB TYR 54 -0.857 -9.714 4.727 370 HD1 TYR 54 1HD TYR 54 -2.040 -7.833 5.835 371 HD2 TYR 54 2HD TYR 54 1.813 -9.118 7.108 372 HE1 TYR 54 1HE TYR 54 -1.735 -5.709 7.040 373 HE2 TYR 54 2HE TYR 54 2.125 -7.003 8.323 374 HH TYR 54 HH TYR 54 -0.432 -4.777 8.849 375 H ASN 55 H ASN 55 -1.097 -13.416 7.235 376 HA ASN 55 HA ASN 55 -0.667 -14.744 4.796 377 2HB ASN 55 2HB ASN 55 -1.988 -15.791 7.308 378 1HD2 ASN 55 1HD2 ASN 55 0.466 -17.269 5.359 379 2HD2 ASN 55 2HD2 ASN 55 -0.486 -18.599 4.792 380 H ASP 56 H ASP 56 -1.924 -15.013 3.110 381 HA ASP 56 HA ASP 56 -3.725 -15.195 1.743 382 2HB ASP 56 2HB ASP 56 -5.186 -15.693 4.343 383 H ARG 57 H ARG 57 -3.168 -12.787 3.859 384 HA ARG 57 HA ARG 57 -5.316 -11.082 2.789 385 2HB ARG 57 2HB ARG 57 -3.709 -10.612 5.313 386 2HG ARG 57 2HG ARG 57 -6.458 -9.570 4.767 387 2HD ARG 57 2HD ARG 57 -5.814 -7.854 6.339 388 HE ARG 57 HE ARG 57 -5.859 -10.562 7.152 389 1HH1 ARG 57 1HH1 ARG 57 -5.118 -7.330 8.308 390 2HH1 ARG 57 2HH1 ARG 57 -5.303 -7.771 9.983 391 1HH2 ARG 57 1HH2 ARG 57 -6.092 -11.122 9.351 392 2HH2 ARG 57 2HH2 ARG 57 -5.837 -9.918 10.580 393 H VAL 58 H VAL 58 -2.846 -11.707 1.397 394 HA VAL 58 HA VAL 58 -1.104 -9.491 1.941 395 HB VAL 58 HB VAL 58 0.063 -10.507 -0.232 396 1HG1 VAL 58 1HG1 VAL 58 1.449 -11.823 1.329 397 2HG1 VAL 58 2HG1 VAL 58 0.246 -11.534 2.586 398 3HG1 VAL 58 3HG1 VAL 58 1.128 -10.180 1.877 399 1HG2 VAL 58 1HG2 VAL 58 -1.455 -12.811 0.974 400 2HG2 VAL 58 2HG2 VAL 58 -0.055 -12.980 -0.087 401 3HG2 VAL 58 3HG2 VAL 58 -1.531 -12.223 -0.689 402 HA PRO 59 HA PRO 59 -0.110 -7.426 -1.699 403 2HB PRO 59 2HB PRO 59 -1.194 -7.224 -3.776 404 2HG PRO 59 2HG PRO 59 -0.370 -9.329 -4.018 405 2HD PRO 59 2HD PRO 59 0.179 -10.135 -1.949 406 H VAL 60 H VAL 60 -0.571 -6.638 0.530 407 HA VAL 60 HA VAL 60 -3.148 -5.345 0.944 408 HB VAL 60 HB VAL 60 -1.377 -4.869 3.130 409 1HG1 VAL 60 1HG1 VAL 60 -3.034 -6.167 4.380 410 2HG1 VAL 60 2HG1 VAL 60 -3.734 -6.729 2.861 411 3HG1 VAL 60 3HG1 VAL 60 -3.801 -5.018 3.283 412 1HG2 VAL 60 1HG2 VAL 60 -0.904 -7.193 3.815 413 2HG2 VAL 60 2HG2 VAL 60 -0.015 -6.706 2.369 414 3HG2 VAL 60 3HG2 VAL 60 -1.437 -7.741 2.227 415 H LEU 61 H LEU 61 -3.463 -3.231 0.799 416 HA LEU 61 HA LEU 61 -1.116 -1.519 0.495 417 2HB LEU 61 2HB LEU 61 -3.993 -0.687 0.149 418 HG LEU 61 HG LEU 61 -2.970 0.770 -1.671 419 1HD1 LEU 61 1HD1 LEU 61 -2.343 2.530 -0.103 420 2HD1 LEU 61 2HD1 LEU 61 -2.240 1.344 1.197 421 3HD1 LEU 61 3HD1 LEU 61 -3.793 1.681 0.430 422 1HD2 LEU 61 1HD2 LEU 61 -0.610 1.353 -1.401 423 2HD2 LEU 61 2HD2 LEU 61 -0.799 -0.351 -1.817 424 3HD2 LEU 61 3HD2 LEU 61 -0.438 0.117 -0.156 425 H PHE 62 H PHE 62 -0.340 -1.008 2.389 426 HA PHE 62 HA PHE 62 -2.107 -0.564 4.669 427 2HB PHE 62 2HB PHE 62 0.901 -0.875 4.475 428 HD1 PHE 62 1HD PHE 62 -1.467 -1.914 7.106 429 HD2 PHE 62 2HD PHE 62 1.720 0.697 6.032 430 HE1 PHE 62 1HE PHE 62 -1.206 -1.262 9.466 431 HE2 PHE 62 2HE PHE 62 1.989 1.347 8.385 432 HZ PHE 62 HZ PHE 62 0.524 0.368 10.105 433 H ALA 63 H ALA 63 -2.589 1.405 5.350 434 HA ALA 63 HA ALA 63 -1.305 3.698 4.121 435 1HB ALA 63 1HB ALA 63 -3.616 3.523 6.049 436 2HB ALA 63 2HB ALA 63 -3.725 3.683 4.296 437 3HB ALA 63 3HB ALA 63 -3.051 4.995 5.263 438 H VAL 64 H VAL 64 0.609 4.231 4.985 439 HA VAL 64 HA VAL 64 1.322 3.808 7.703 440 HB VAL 64 HB VAL 64 2.595 5.651 5.665 441 1HG1 VAL 64 1HG1 VAL 64 3.736 4.470 8.193 442 2HG1 VAL 64 2HG1 VAL 64 3.319 6.163 7.933 443 3HG1 VAL 64 3HG1 VAL 64 4.625 5.426 7.006 444 1HG2 VAL 64 1HG2 VAL 64 2.467 3.353 4.867 445 2HG2 VAL 64 2HG2 VAL 64 3.234 2.784 6.350 446 3HG2 VAL 64 3HG2 VAL 64 4.132 3.807 5.228 447 H ASN 65 H ASN 65 1.706 5.432 9.327 448 HA ASN 65 HA ASN 65 1.216 7.257 10.600 449 2HB ASN 65 2HB ASN 65 0.059 9.268 9.532 450 1HD2 ASN 65 1HD2 ASN 65 1.561 9.962 7.127 451 2HD2 ASN 65 2HD2 ASN 65 3.201 10.164 7.638 452 H GLU 66 H GLU 66 -1.348 6.231 8.408 453 HA GLU 66 HA GLU 66 -3.420 6.526 10.374 454 2HB GLU 66 2HB GLU 66 -4.576 4.853 8.719 455 2HG GLU 66 2HG GLU 66 -4.972 6.619 7.034 456 H ASP 67 H ASP 67 -1.252 4.029 9.264 457 HA ASP 67 HA ASP 67 -0.614 2.022 10.081 458 2HB ASP 67 2HB ASP 67 -1.877 2.367 12.733 459 H LYS 68 H LYS 68 -2.903 2.126 8.620 460 HA LYS 68 HA LYS 68 -4.447 -0.116 9.703 461 2HB LYS 68 2HB LYS 68 -5.794 1.820 10.280 462 2HG LYS 68 2HG LYS 68 -5.041 2.725 7.590 463 2HD LYS 68 2HD LYS 68 -7.436 2.294 7.239 464 2HE LYS 68 2HE LYS 68 -8.261 2.494 9.512 465 1HZ LYS 68 1HZ LYS 68 -8.623 4.837 10.353 466 2HZ LYS 68 2HZ LYS 68 -7.436 5.333 9.245 467 3HZ LYS 68 3HZ LYS 68 -7.046 4.233 10.475 468 H GLU 69 H GLU 69 -5.774 -1.165 8.017 469 HA GLU 69 HA GLU 69 -4.437 -1.157 5.433 470 2HB GLU 69 2HB GLU 69 -6.024 -3.022 4.930 471 2HG GLU 69 2HG GLU 69 -4.554 -3.377 7.531 472 H LEU 70 H LEU 70 -5.246 -0.193 3.614 473 HA LEU 70 HA LEU 70 -7.862 1.092 3.795 474 2HB LEU 70 2HB LEU 70 -7.329 2.055 1.591 475 HG LEU 70 HG LEU 70 -4.867 2.395 3.292 476 1HD1 LEU 70 1HD1 LEU 70 -6.295 4.163 1.310 477 2HD1 LEU 70 2HD1 LEU 70 -4.728 3.383 1.098 478 3HD1 LEU 70 3HD1 LEU 70 -4.922 4.656 2.302 479 1HD2 LEU 70 1HD2 LEU 70 -7.501 3.847 3.557 480 2HD2 LEU 70 2HD2 LEU 70 -6.018 4.186 4.454 481 3HD2 LEU 70 3HD2 LEU 70 -6.871 2.661 4.700 482 H CYS 71 H CYS 71 -6.169 -1.227 1.715 483 HA CYS 71 HA CYS 71 -8.415 -2.951 1.560 484 2HB CYS 71 2HB CYS 71 -7.684 -1.585 -1.038 485 HG CYS 71 HG CYS 71 -10.399 -2.497 -1.837 486 H HIS 72 H HIS 72 -7.888 -4.815 0.016 487 HA HIS 72 HA HIS 72 -5.054 -5.038 -0.576 488 2HB HIS 72 2HB HIS 72 -5.161 -5.869 1.710 489 HD1 HIS 72 1HD HIS 72 -7.515 -5.928 2.877 490 HD2 HIS 72 2HD HIS 72 -6.619 -9.251 0.542 491 HE1 HIS 72 1HE HIS 72 -9.182 -7.694 3.533 492 H TYR 73 H TYR 73 -4.541 -6.512 -2.144 493 HA TYR 73 HA TYR 73 -4.798 -7.805 -3.986 494 2HB TYR 73 2HB TYR 73 -6.922 -9.124 -4.328 495 HD1 TYR 73 1HD TYR 73 -4.498 -10.251 -4.134 496 HD2 TYR 73 2HD TYR 73 -7.207 -9.688 -0.908 497 HE1 TYR 73 1HE TYR 73 -3.401 -12.073 -2.898 498 HE2 TYR 73 2HE TYR 73 -6.110 -11.494 0.339 499 HH TYR 73 HH TYR 73 -4.762 -13.444 -0.074 500 H PHE 74 H PHE 74 -7.332 -5.518 -3.235 501 HA PHE 74 HA PHE 74 -7.602 -4.944 -6.096 502 2HB PHE 74 2HB PHE 74 -10.017 -4.270 -5.478 503 HD1 PHE 74 1HD PHE 74 -9.967 -7.548 -4.023 504 HD2 PHE 74 2HD PHE 74 -9.825 -5.418 -7.706 505 HE1 PHE 74 1HE PHE 74 -10.619 -9.593 -5.226 506 HE2 PHE 74 2HE PHE 74 -10.473 -7.462 -8.917 507 HZ PHE 74 HZ PHE 74 -10.874 -9.551 -7.676 508 H LEU 75 H LEU 75 -8.557 -2.699 -6.410 509 HA LEU 75 HA LEU 75 -7.268 -0.930 -4.453 510 2HB LEU 75 2HB LEU 75 -7.418 -0.493 -7.425 511 HG LEU 75 HG LEU 75 -7.021 1.551 -6.016 512 1HD1 LEU 75 1HD1 LEU 75 -4.894 1.782 -4.886 513 2HD1 LEU 75 2HD1 LEU 75 -4.445 0.138 -5.342 514 3HD1 LEU 75 3HD1 LEU 75 -5.781 0.408 -4.219 515 1HD2 LEU 75 1HD2 LEU 75 -4.731 0.653 -7.763 516 2HD2 LEU 75 2HD2 LEU 75 -5.112 2.319 -7.323 517 3HD2 LEU 75 3HD2 LEU 75 -6.232 1.393 -8.324 518 H ASP 76 H ASP 76 -8.966 -0.138 -3.368 519 HA ASP 76 HA ASP 76 -11.273 0.907 -4.778 520 2HB ASP 76 2HB ASP 76 -11.887 1.679 -2.387 521 H SER 77 H SER 77 -10.676 2.630 -5.963 522 HA SER 77 HA SER 77 -8.696 4.486 -5.285 523 2HB SER 77 2HB SER 77 -9.424 5.725 -7.197 524 HG SER 77 HG SER 77 -9.362 4.119 -8.692 525 H ASP 78 H ASP 78 -12.111 4.372 -4.548 526 HA ASP 78 HA ASP 78 -12.454 7.077 -3.809 527 2HB ASP 78 2HB ASP 78 -14.395 6.213 -2.441 528 H VAL 79 H VAL 79 -11.434 4.229 -1.984 529 HA VAL 79 HA VAL 79 -11.390 5.603 0.525 530 HB VAL 79 HB VAL 79 -10.300 2.907 -0.295 531 1HG1 VAL 79 1HG1 VAL 79 -9.993 2.432 2.069 532 2HG1 VAL 79 2HG1 VAL 79 -10.540 4.058 2.486 533 3HG1 VAL 79 3HG1 VAL 79 -9.028 3.834 1.606 534 1HG2 VAL 79 1HG2 VAL 79 -12.716 3.059 -0.362 535 2HG2 VAL 79 2HG2 VAL 79 -12.744 3.756 1.257 536 3HG2 VAL 79 3HG2 VAL 79 -12.228 2.083 1.027 537 H ILE 80 H ILE 80 -8.883 4.571 -1.796 538 HA ILE 80 HA ILE 80 -6.737 5.524 -0.202 539 HB ILE 80 HB ILE 80 -6.315 3.909 -1.991 540 2HG1 ILE 80 2HG1 ILE 80 -4.922 6.569 -2.328 541 1HG2 ILE 80 1HG2 ILE 80 -7.927 4.696 -3.621 542 2HG2 ILE 80 2HG2 ILE 80 -6.317 4.575 -4.328 543 3HG2 ILE 80 3HG2 ILE 80 -6.967 6.152 -3.883 544 1HD1 ILE 80 1HD1 ILE 80 -3.174 5.606 -1.002 545 2HD1 ILE 80 2HD1 ILE 80 -4.070 4.093 -0.869 546 3HD1 ILE 80 3HD1 ILE 80 -4.697 5.560 -0.117 547 H GLY 81 H GLY 81 -8.811 7.041 -2.621 548 1HA GLY 81 1HA GLY 81 -7.375 9.463 -2.884 549 2HA GLY 81 2HA GLY 81 -9.091 9.239 -3.197 550 H ALA 82 H ALA 82 -9.778 8.357 -0.570 551 HA ALA 82 HA ALA 82 -10.205 10.811 0.738 552 1HB ALA 82 1HB ALA 82 -11.706 8.921 1.016 553 2HB ALA 82 2HB ALA 82 -11.075 9.437 2.579 554 3HB ALA 82 3HB ALA 82 -10.426 7.996 1.801 555 H TYR 83 H TYR 83 -7.740 8.360 1.057 556 HA TYR 83 HA TYR 83 -6.624 9.551 3.452 557 2HB TYR 83 2HB TYR 83 -5.912 7.142 1.791 558 HD1 TYR 83 1HD TYR 83 -3.593 7.259 1.313 559 HD2 TYR 83 2HD TYR 83 -4.971 8.007 5.271 560 HE1 TYR 83 1HE TYR 83 -1.276 7.211 2.126 561 HE2 TYR 83 2HE TYR 83 -2.655 7.952 6.094 562 HH TYR 83 HH TYR 83 -0.469 7.085 5.444 563 H LEU 84 H LEU 84 -5.846 9.329 0.018 564 HA LEU 84 HA LEU 84 -3.165 10.281 0.364 565 2HB LEU 84 2HB LEU 84 -4.021 10.517 -2.342 566 HG LEU 84 HG LEU 84 -2.607 8.497 -2.706 567 1HD1 LEU 84 1HD1 LEU 84 -1.623 10.707 -2.801 568 2HD1 LEU 84 2HD1 LEU 84 -0.497 9.577 -2.051 569 3HD1 LEU 84 3HD1 LEU 84 -1.403 10.710 -1.051 570 1HD2 LEU 84 1HD2 LEU 84 -2.168 8.661 0.266 571 2HD2 LEU 84 2HD2 LEU 84 -1.321 7.601 -0.860 572 3HD2 LEU 84 3HD2 LEU 84 -3.049 7.388 -0.579 573 H SER 85 H SER 85 -5.953 11.949 0.599 574 HA SER 85 HA SER 85 -4.533 14.429 0.087 575 2HB SER 85 2HB SER 85 -6.406 15.398 -1.197 576 HG SER 85 HG SER 85 -4.687 13.568 -2.039 Start of MODEL 13 1 HA MET 1 HA MET 1 -0.372 28.055 -0.105 2 2HB MET 1 2HB MET 1 -0.637 30.492 0.041 3 2HG MET 1 2HG MET 1 -2.734 31.501 0.795 4 1HE MET 1 1HE MET 1 -5.059 32.064 -2.363 5 2HE MET 1 2HE MET 1 -4.683 32.631 -0.734 6 3HE MET 1 3HE MET 1 -5.391 31.032 -0.970 7 H ASN 2 H ASN 2 -1.076 26.095 0.426 8 HA ASN 2 HA ASN 2 -3.890 25.720 1.139 9 2HB ASN 2 2HB ASN 2 -4.189 23.793 -0.295 10 1HD2 ASN 2 1HD2 ASN 2 -5.707 25.273 -1.099 11 2HD2 ASN 2 2HD2 ASN 2 -5.386 26.206 -2.524 12 H ASN 3 H ASN 3 -0.993 25.612 2.236 13 HA ASN 3 HA ASN 3 0.222 24.436 3.745 14 2HB ASN 3 2HB ASN 3 -0.907 22.540 4.999 15 1HD2 ASN 3 1HD2 ASN 3 -3.442 23.312 5.996 16 2HD2 ASN 3 2HD2 ASN 3 -3.228 24.810 6.840 17 H GLN 4 H GLN 4 1.833 23.560 2.559 18 HA GLN 4 HA GLN 4 1.302 21.240 0.908 19 2HB GLN 4 2HB GLN 4 3.938 22.613 1.457 20 2HG GLN 4 2HG GLN 4 3.189 20.832 -0.847 21 1HE2 GLN 4 1HE2 GLN 4 4.267 22.222 -2.268 22 2HE2 GLN 4 2HE2 GLN 4 5.989 22.378 -2.253 23 H VAL 5 H VAL 5 0.819 19.590 2.283 24 HA VAL 5 HA VAL 5 2.709 18.859 4.340 25 HB VAL 5 HB VAL 5 1.186 16.768 4.471 26 1HG1 VAL 5 1HG1 VAL 5 1.258 18.467 6.163 27 2HG1 VAL 5 2HG1 VAL 5 -0.424 18.029 5.856 28 3HG1 VAL 5 3HG1 VAL 5 0.232 19.529 5.198 29 1HG2 VAL 5 1HG2 VAL 5 -1.101 17.140 3.689 30 2HG2 VAL 5 2HG2 VAL 5 0.038 17.101 2.344 31 3HG2 VAL 5 3HG2 VAL 5 -0.598 18.642 2.918 32 H GLU 6 H GLU 6 4.234 17.434 4.202 33 HA GLU 6 HA GLU 6 5.271 16.618 1.745 34 2HB GLU 6 2HB GLU 6 6.653 16.959 3.710 35 2HG GLU 6 2HG GLU 6 5.408 14.475 4.844 36 HA PRO 7 HA PRO 7 3.289 12.856 0.782 37 2HB PRO 7 2HB PRO 7 4.704 12.692 -1.023 38 2HG PRO 7 2HG PRO 7 6.952 13.224 -0.845 39 2HD PRO 7 2HD PRO 7 6.079 15.120 0.133 40 H ARG 8 H ARG 8 2.649 10.955 1.651 41 HA ARG 8 HA ARG 8 4.276 9.854 3.833 42 2HB ARG 8 2HB ARG 8 2.202 10.646 4.721 43 2HG ARG 8 2HG ARG 8 0.331 8.905 3.428 44 2HD ARG 8 2HD ARG 8 -0.074 10.922 4.853 45 HE ARG 8 HE ARG 8 1.529 12.366 3.389 46 1HH1 ARG 8 1HH1 ARG 8 -1.964 12.413 3.456 47 2HH1 ARG 8 2HH1 ARG 8 -2.095 14.054 2.889 48 1HH2 ARG 8 1HH2 ARG 8 1.385 14.538 2.666 49 2HH2 ARG 8 2HH2 ARG 8 -0.180 15.260 2.449 50 H LYS 9 H LYS 9 4.633 7.621 3.851 51 HA LYS 9 HA LYS 9 4.710 6.644 1.124 52 2HB LYS 9 2HB LYS 9 6.102 5.726 3.632 53 2HG LYS 9 2HG LYS 9 6.458 4.800 0.806 54 2HD LYS 9 2HD LYS 9 8.219 4.309 3.198 55 2HE LYS 9 2HE LYS 9 8.254 3.353 0.357 56 1HZ LYS 9 1HZ LYS 9 10.446 4.076 0.693 57 2HZ LYS 9 2HZ LYS 9 10.472 2.405 0.990 58 3HZ LYS 9 3HZ LYS 9 10.491 3.498 2.280 59 H LEU 10 H LEU 10 4.061 4.646 0.434 60 HA LEU 10 HA LEU 10 2.270 3.153 2.227 61 2HB LEU 10 2HB LEU 10 1.313 2.246 0.050 62 HG LEU 10 HG LEU 10 0.955 5.201 0.545 63 1HD1 LEU 10 1HD1 LEU 10 0.279 4.547 -1.717 64 2HD1 LEU 10 2HD1 LEU 10 -1.115 4.954 -0.716 65 3HD1 LEU 10 3HD1 LEU 10 -0.727 3.264 -1.044 66 1HD2 LEU 10 1HD2 LEU 10 0.388 3.769 2.461 67 2HD2 LEU 10 2HD2 LEU 10 -0.674 2.814 1.423 68 3HD2 LEU 10 3HD2 LEU 10 -1.044 4.509 1.749 69 H VAL 11 H VAL 11 2.805 1.140 2.719 70 HA VAL 11 HA VAL 11 4.875 -0.226 1.126 71 HB VAL 11 HB VAL 11 3.844 -0.778 3.918 72 1HG1 VAL 11 1HG1 VAL 11 4.173 -2.901 2.712 73 2HG1 VAL 11 2HG1 VAL 11 5.365 -2.685 3.999 74 3HG1 VAL 11 3HG1 VAL 11 5.822 -2.409 2.317 75 1HG2 VAL 11 1HG2 VAL 11 6.159 -0.403 4.577 76 2HG2 VAL 11 2HG2 VAL 11 5.510 1.003 3.730 77 3HG2 VAL 11 3HG2 VAL 11 6.596 -0.104 2.895 78 H VAL 12 H VAL 12 4.306 -1.961 -0.114 79 HA VAL 12 HA VAL 12 1.580 -2.973 0.213 80 HB VAL 12 HB VAL 12 3.521 -3.676 -1.984 81 1HG1 VAL 12 1HG1 VAL 12 1.533 -4.445 -3.169 82 2HG1 VAL 12 2HG1 VAL 12 0.529 -3.992 -1.792 83 3HG1 VAL 12 3HG1 VAL 12 1.718 -5.287 -1.628 84 1HG2 VAL 12 1HG2 VAL 12 2.302 -2.101 -3.394 85 2HG2 VAL 12 2HG2 VAL 12 3.100 -1.291 -2.046 86 3HG2 VAL 12 3HG2 VAL 12 1.359 -1.583 -1.997 87 H TYR 13 H TYR 13 1.525 -4.433 1.791 88 HA TYR 13 HA TYR 13 3.621 -6.309 2.312 89 2HB TYR 13 2HB TYR 13 1.807 -7.488 3.668 90 HD1 TYR 13 1HD TYR 13 4.295 -6.234 4.362 91 HD2 TYR 13 2HD TYR 13 0.325 -4.864 5.048 92 HE1 TYR 13 1HE TYR 13 5.081 -4.954 6.310 93 HE2 TYR 13 2HE TYR 13 1.103 -3.573 6.990 94 HH TYR 13 HH TYR 13 2.936 -3.534 8.568 95 H GLY 14 H GLY 14 3.546 -8.567 1.920 96 1HA GLY 14 1HA GLY 14 1.609 -10.113 0.887 97 2HA GLY 14 2HA GLY 14 2.199 -9.267 -0.532 98 H ARG 15 H ARG 15 3.018 -11.034 -1.519 99 HA ARG 15 HA ARG 15 5.680 -11.687 -0.761 100 2HB ARG 15 2HB ARG 15 4.591 -13.306 0.652 101 2HG ARG 15 2HG ARG 15 3.144 -14.263 -1.803 102 2HD ARG 15 2HD ARG 15 2.142 -15.928 -0.290 103 HE ARG 15 HE ARG 15 4.894 -16.641 0.082 104 1HH1 ARG 15 1HH1 ARG 15 2.383 -16.210 -2.327 105 2HH1 ARG 15 2HH1 ARG 15 3.111 -17.279 -3.482 106 1HH2 ARG 15 1HH2 ARG 15 5.866 -18.059 -1.435 107 2HH2 ARG 15 2HH2 ARG 15 5.117 -18.304 -2.987 108 H GLU 16 H GLU 16 6.376 -13.602 -2.397 109 HA GLU 16 HA GLU 16 6.181 -12.190 -4.885 110 2HB GLU 16 2HB GLU 16 7.967 -13.665 -5.593 111 2HG GLU 16 2HG GLU 16 8.172 -12.696 -2.766 112 H GLY 17 H GLY 17 4.514 -12.491 -6.193 113 1HA GLY 17 1HA GLY 17 3.837 -14.130 -7.959 114 2HA GLY 17 2HA GLY 17 3.590 -15.264 -6.642 115 H CYS 18 H CYS 18 2.598 -11.940 -7.500 116 HA CYS 18 HA CYS 18 -0.191 -12.739 -7.258 117 2HB CYS 18 2HB CYS 18 -0.727 -10.822 -5.778 118 HG CYS 18 HG CYS 18 0.686 -13.593 -4.833 119 H HIS 19 H HIS 19 -1.130 -12.052 -9.054 120 HA HIS 19 HA HIS 19 0.139 -10.157 -10.768 121 2HB HIS 19 2HB HIS 19 -2.630 -11.352 -10.978 122 HD1 HIS 19 1HD HIS 19 0.158 -9.857 -13.122 123 HD2 HIS 19 2HD HIS 19 -3.977 -10.364 -13.091 124 HE1 HIS 19 1HE HIS 19 -0.692 -8.695 -15.191 125 H LEU 20 H LEU 20 -2.707 -10.017 -8.655 126 HA LEU 20 HA LEU 20 -3.610 -7.478 -9.415 127 2HB LEU 20 2HB LEU 20 -4.492 -7.363 -7.001 128 HG LEU 20 HG LEU 20 -5.344 -9.858 -8.458 129 1HD1 LEU 20 1HD1 LEU 20 -7.495 -9.384 -7.470 130 2HD1 LEU 20 2HD1 LEU 20 -6.885 -7.883 -6.772 131 3HD1 LEU 20 3HD1 LEU 20 -6.269 -9.439 -6.202 132 1HD2 LEU 20 1HD2 LEU 20 -5.205 -8.021 -10.070 133 2HD2 LEU 20 2HD2 LEU 20 -6.183 -7.012 -9.002 134 3HD2 LEU 20 3HD2 LEU 20 -6.883 -8.458 -9.732 135 H CYS 21 H CYS 21 -0.997 -8.441 -7.320 136 HA CYS 21 HA CYS 21 -0.498 -5.963 -6.092 137 2HB CYS 21 2HB CYS 21 1.565 -8.033 -6.885 138 HG CYS 21 HG CYS 21 3.034 -5.887 -6.072 139 H GLU 22 H GLU 22 0.699 -7.391 -9.114 140 HA GLU 22 HA GLU 22 2.359 -5.289 -9.949 141 2HB GLU 22 2HB GLU 22 2.211 -6.240 -12.156 142 2HG GLU 22 2HG GLU 22 1.962 -8.461 -10.142 143 H GLU 23 H GLU 23 -1.052 -5.958 -10.580 144 HA GLU 23 HA GLU 23 -1.456 -3.891 -12.437 145 2HB GLU 23 2HB GLU 23 -3.833 -4.329 -12.143 146 2HG GLU 23 2HG GLU 23 -2.362 -6.933 -11.862 147 H MET 24 H MET 24 -1.871 -3.993 -8.918 148 HA MET 24 HA MET 24 -2.951 -1.357 -8.791 149 2HB MET 24 2HB MET 24 -2.316 -1.490 -6.333 150 2HG MET 24 2HG MET 24 -3.842 -3.928 -7.135 151 1HE MET 24 1HE MET 24 -3.314 -0.761 -4.846 152 2HE MET 24 2HE MET 24 -4.584 -0.982 -3.640 153 3HE MET 24 3HE MET 24 -5.007 -0.593 -5.311 154 H ILE 25 H ILE 25 0.294 -2.658 -8.852 155 HA ILE 25 HA ILE 25 1.691 -0.390 -7.972 156 HB ILE 25 HB ILE 25 2.465 -2.494 -9.997 157 2HG1 ILE 25 2HG1 ILE 25 2.201 -3.241 -7.660 158 1HG2 ILE 25 1HG2 ILE 25 3.681 -0.455 -10.526 159 2HG2 ILE 25 2HG2 ILE 25 4.763 -1.661 -9.834 160 3HG2 ILE 25 3HG2 ILE 25 4.203 -0.311 -8.848 161 1HD1 ILE 25 1HD1 ILE 25 3.969 -4.296 -8.990 162 2HD1 ILE 25 2HD1 ILE 25 4.373 -4.215 -7.277 163 3HD1 ILE 25 3HD1 ILE 25 5.113 -3.085 -8.411 164 H ALA 26 H ALA 26 0.552 -1.279 -11.210 165 HA ALA 26 HA ALA 26 1.484 0.994 -12.564 166 1HB ALA 26 1HB ALA 26 -0.140 0.416 -14.292 167 2HB ALA 26 2HB ALA 26 -0.952 -0.682 -13.175 168 3HB ALA 26 3HB ALA 26 0.696 -1.018 -13.702 169 H SER 27 H SER 27 -1.558 0.365 -10.871 170 HA SER 27 HA SER 27 -2.816 2.817 -11.478 171 2HB SER 27 2HB SER 27 -4.339 2.252 -9.643 172 HG SER 27 HG SER 27 -3.911 0.760 -11.706 173 H LEU 28 H LEU 28 -0.757 1.782 -8.787 174 HA LEU 28 HA LEU 28 -0.995 4.176 -7.296 175 2HB LEU 28 2HB LEU 28 1.034 3.370 -6.102 176 HG LEU 28 HG LEU 28 -0.958 1.140 -6.517 177 1HD1 LEU 28 1HD1 LEU 28 1.065 0.452 -5.361 178 2HD1 LEU 28 2HD1 LEU 28 -0.320 0.467 -4.268 179 3HD1 LEU 28 3HD1 LEU 28 0.865 1.772 -4.207 180 1HD2 LEU 28 1HD2 LEU 28 -2.108 3.219 -5.952 181 2HD2 LEU 28 2HD2 LEU 28 -1.042 3.441 -4.565 182 3HD2 LEU 28 3HD2 LEU 28 -2.161 2.078 -4.608 183 H ARG 29 H ARG 29 1.175 3.168 -9.871 184 HA ARG 29 HA ARG 29 2.996 5.302 -9.679 185 2HB ARG 29 2HB ARG 29 3.378 4.919 -12.135 186 2HG ARG 29 2HG ARG 29 4.316 2.742 -11.989 187 2HD ARG 29 2HD ARG 29 5.663 2.888 -10.047 188 HE ARG 29 HE ARG 29 4.876 5.671 -10.636 189 1HH1 ARG 29 1HH1 ARG 29 7.265 3.109 -10.550 190 2HH1 ARG 29 2HH1 ARG 29 8.575 4.165 -10.993 191 1HH2 ARG 29 1HH2 ARG 29 6.591 7.049 -11.212 192 2HH2 ARG 29 2HH2 ARG 29 8.199 6.394 -11.358 193 H VAL 30 H VAL 30 -0.056 4.971 -11.428 194 HA VAL 30 HA VAL 30 -0.083 7.527 -12.601 195 HB VAL 30 HB VAL 30 -2.453 5.843 -11.760 196 1HG1 VAL 30 1HG1 VAL 30 -3.088 8.150 -12.206 197 2HG1 VAL 30 2HG1 VAL 30 -3.683 7.085 -13.481 198 3HG1 VAL 30 3HG1 VAL 30 -2.262 8.094 -13.761 199 1HG2 VAL 30 1HG2 VAL 30 -0.982 5.963 -14.394 200 2HG2 VAL 30 2HG2 VAL 30 -2.455 5.044 -14.077 201 3HG2 VAL 30 3HG2 VAL 30 -0.957 4.623 -13.246 202 H LEU 31 H LEU 31 -1.285 6.346 -9.488 203 HA LEU 31 HA LEU 31 -2.454 8.804 -8.694 204 2HB LEU 31 2HB LEU 31 -1.446 7.113 -6.528 205 HG LEU 31 HG LEU 31 -4.286 7.779 -7.316 206 1HD1 LEU 31 1HD1 LEU 31 -3.196 6.717 -4.715 207 2HD1 LEU 31 2HD1 LEU 31 -4.029 5.746 -5.931 208 3HD1 LEU 31 3HD1 LEU 31 -4.887 7.049 -5.103 209 1HD2 LEU 31 1HD2 LEU 31 -2.989 9.783 -6.761 210 2HD2 LEU 31 2HD2 LEU 31 -2.515 9.046 -5.231 211 3HD2 LEU 31 3HD2 LEU 31 -4.207 9.431 -5.535 212 H GLN 32 H GLN 32 0.781 7.444 -8.383 213 HA GLN 32 HA GLN 32 1.871 9.319 -6.605 214 2HB GLN 32 2HB GLN 32 4.037 8.738 -8.050 215 2HG GLN 32 2HG GLN 32 2.647 6.675 -6.354 216 1HE2 GLN 32 1HE2 GLN 32 4.102 5.142 -5.385 217 2HE2 GLN 32 2HE2 GLN 32 5.578 4.733 -6.179 218 H LYS 33 H LYS 33 0.952 9.646 -9.902 219 HA LYS 33 HA LYS 33 2.594 11.943 -10.440 220 2HB LYS 33 2HB LYS 33 1.300 12.140 -12.496 221 2HG LYS 33 2HG LYS 33 1.804 9.222 -12.020 222 2HD LYS 33 2HD LYS 33 2.573 9.320 -14.351 223 2HE LYS 33 2HE LYS 33 -0.205 10.450 -14.018 224 1HZ LYS 33 1HZ LYS 33 0.872 8.677 -16.141 225 2HZ LYS 33 2HZ LYS 33 0.644 10.351 -16.318 226 3HZ LYS 33 3HZ LYS 33 -0.687 9.339 -16.058 227 H LYS 34 H LYS 34 -0.346 11.343 -8.850 228 HA LYS 34 HA LYS 34 -1.166 14.158 -8.947 229 2HB LYS 34 2HB LYS 34 -3.180 13.342 -7.722 230 2HG LYS 34 2HG LYS 34 -2.556 11.917 -10.293 231 2HD LYS 34 2HD LYS 34 -5.198 12.225 -8.864 232 2HE LYS 34 2HE LYS 34 -5.956 10.679 -10.721 233 1HZ LYS 34 1HZ LYS 34 -6.474 12.426 -12.175 234 2HZ LYS 34 2HZ LYS 34 -5.109 13.330 -11.741 235 3HZ LYS 34 3HZ LYS 34 -6.390 13.150 -10.644 236 H SER 35 H SER 35 -0.335 11.557 -6.713 237 HA SER 35 HA SER 35 0.654 13.491 -4.768 238 2HB SER 35 2HB SER 35 -0.580 12.448 -2.927 239 HG SER 35 HG SER 35 -1.679 13.897 -4.825 240 H TRP 36 H TRP 36 2.617 12.829 -4.117 241 HA TRP 36 HA TRP 36 3.570 10.229 -4.920 242 2HB TRP 36 2HB TRP 36 5.012 12.314 -3.266 243 HD1 TRP 36 HD TRP 36 6.736 10.652 -2.163 244 HE1 TRP 36 1HE TRP 36 8.621 9.182 -3.121 245 HE3 TRP 36 3HE TRP 36 5.496 10.874 -7.121 246 HZ2 TRP 36 2HZ TRP 36 9.460 8.234 -5.645 247 HZ3 TRP 36 3HZ TRP 36 6.894 9.660 -8.742 248 HH2 TRP 36 HH TRP 36 8.835 8.366 -8.017 249 H PHE 37 H PHE 37 3.884 8.463 -3.674 250 HA PHE 37 HA PHE 37 3.848 8.724 -0.770 251 2HB PHE 37 2HB PHE 37 1.553 8.319 -1.050 252 HD1 PHE 37 1HD PHE 37 0.231 8.600 -2.919 253 HD2 PHE 37 2HD PHE 37 2.733 5.165 -2.668 254 HE1 PHE 37 1HE PHE 37 -0.830 7.680 -4.935 255 HE2 PHE 37 2HE PHE 37 1.676 4.248 -4.683 256 HZ PHE 37 HZ PHE 37 -0.106 5.503 -5.820 257 H GLU 38 H GLU 38 5.635 7.840 -3.106 258 HA GLU 38 HA GLU 38 7.142 6.231 -3.640 259 2HB GLU 38 2HB GLU 38 8.167 4.977 -1.749 260 2HG GLU 38 2HG GLU 38 7.887 7.677 -0.623 261 H LEU 39 H LEU 39 7.644 3.724 -3.100 262 HA LEU 39 HA LEU 39 5.218 2.202 -2.714 263 2HB LEU 39 2HB LEU 39 6.808 1.697 -5.215 264 HG LEU 39 HG LEU 39 5.403 -0.149 -4.889 265 1HD1 LEU 39 1HD1 LEU 39 3.217 1.779 -4.118 266 2HD1 LEU 39 2HD1 LEU 39 4.122 0.752 -3.009 267 3HD1 LEU 39 3HD1 LEU 39 3.062 0.025 -4.215 268 1HD2 LEU 39 1HD2 LEU 39 5.176 0.824 -7.120 269 2HD2 LEU 39 2HD2 LEU 39 3.845 1.834 -6.544 270 3HD2 LEU 39 3HD2 LEU 39 3.666 0.079 -6.594 271 H GLU 40 H GLU 40 5.840 0.852 -1.156 272 HA GLU 40 HA GLU 40 8.552 -0.298 -1.287 273 2HB GLU 40 2HB GLU 40 6.723 -0.219 1.114 274 2HG GLU 40 2HG GLU 40 8.715 -1.781 1.104 275 H VAL 41 H VAL 41 8.826 -2.512 -1.042 276 HA VAL 41 HA VAL 41 6.380 -4.157 -1.009 277 HB VAL 41 HB VAL 41 8.932 -4.784 -2.514 278 1HG1 VAL 41 1HG1 VAL 41 7.655 -6.668 -3.441 279 2HG1 VAL 41 2HG1 VAL 41 6.305 -6.258 -2.383 280 3HG1 VAL 41 3HG1 VAL 41 7.839 -6.786 -1.691 281 1HG2 VAL 41 1HG2 VAL 41 7.594 -4.478 -4.549 282 2HG2 VAL 41 2HG2 VAL 41 7.694 -2.992 -3.605 283 3HG2 VAL 41 3HG2 VAL 41 6.223 -3.964 -3.566 284 H ILE 42 H ILE 42 6.298 -5.550 0.645 285 HA ILE 42 HA ILE 42 8.820 -6.462 1.843 286 HB ILE 42 HB ILE 42 6.476 -5.367 3.403 287 2HG1 ILE 42 2HG1 ILE 42 7.989 -3.664 2.437 288 1HG2 ILE 42 1HG2 ILE 42 7.361 -7.331 4.519 289 2HG2 ILE 42 2HG2 ILE 42 7.830 -5.878 5.405 290 3HG2 ILE 42 3HG2 ILE 42 9.001 -6.702 4.375 291 1HD1 ILE 42 1HD1 ILE 42 8.603 -2.464 4.419 292 2HD1 ILE 42 2HD1 ILE 42 8.467 -3.932 5.390 293 3HD1 ILE 42 3HD1 ILE 42 7.028 -3.222 4.656 294 H ASN 43 H ASN 43 8.871 -8.603 1.875 295 HA ASN 43 HA ASN 43 6.468 -10.135 1.425 296 2HB ASN 43 2HB ASN 43 8.107 -12.097 1.614 297 1HD2 ASN 43 1HD2 ASN 43 9.889 -9.662 -0.095 298 2HD2 ASN 43 2HD2 ASN 43 9.329 -10.093 -1.675 299 H ILE 44 H ILE 44 5.257 -11.105 2.885 300 HA ILE 44 HA ILE 44 6.055 -11.087 5.687 301 HB ILE 44 HB ILE 44 3.819 -11.910 6.164 302 2HG1 ILE 44 2HG1 ILE 44 3.780 -13.344 4.036 303 1HG2 ILE 44 1HG2 ILE 44 4.041 -9.528 5.895 304 2HG2 ILE 44 2HG2 ILE 44 2.497 -10.042 5.205 305 3HG2 ILE 44 3HG2 ILE 44 3.858 -9.674 4.143 306 1HD1 ILE 44 1HD1 ILE 44 1.296 -11.766 4.644 307 2HD1 ILE 44 2HD1 ILE 44 1.828 -13.221 5.488 308 3HD1 ILE 44 3HD1 ILE 44 1.377 -13.304 3.783 309 H ASP 45 H ASP 45 6.254 -13.126 3.037 310 HA ASP 45 HA ASP 45 5.527 -15.636 3.823 311 2HB ASP 45 2HB ASP 45 8.006 -15.043 2.206 312 H GLY 46 H GLY 46 8.664 -14.080 4.448 313 1HA GLY 46 1HA GLY 46 9.640 -16.464 5.796 314 2HA GLY 46 2HA GLY 46 10.547 -14.994 5.491 315 H ASN 47 H ASN 47 7.663 -14.046 6.780 316 HA ASN 47 HA ASN 47 8.860 -13.891 9.471 317 2HB ASN 47 2HB ASN 47 7.449 -11.851 9.778 318 1HD2 ASN 47 1HD2 ASN 47 8.347 -11.398 6.469 319 2HD2 ASN 47 2HD2 ASN 47 9.832 -10.573 6.768 320 H GLU 48 H GLU 48 7.943 -15.235 10.834 321 HA GLU 48 HA GLU 48 5.663 -16.745 10.326 322 2HB GLU 48 2HB GLU 48 6.904 -16.110 13.012 323 2HG GLU 48 2HG GLU 48 6.238 -18.650 13.293 324 H HIS 49 H HIS 49 5.986 -13.820 12.337 325 HA HIS 49 HA HIS 49 3.305 -13.968 13.304 326 2HB HIS 49 2HB HIS 49 4.938 -11.442 13.247 327 HD1 HIS 49 1HD HIS 49 3.598 -9.690 14.389 328 HD2 HIS 49 2HD HIS 49 2.720 -13.506 15.808 329 HE1 HIS 49 1HE HIS 49 1.832 -9.376 16.151 330 H LEU 50 H LEU 50 4.899 -12.253 10.675 331 HA LEU 50 HA LEU 50 2.640 -10.690 9.945 332 2HB LEU 50 2HB LEU 50 3.851 -10.408 7.761 333 HG LEU 50 HG LEU 50 5.639 -9.918 10.138 334 1HD1 LEU 50 1HD1 LEU 50 6.781 -9.706 8.003 335 2HD1 LEU 50 2HD1 LEU 50 6.554 -8.122 8.749 336 3HD1 LEU 50 3HD1 LEU 50 5.511 -8.630 7.422 337 1HD2 LEU 50 1HD2 LEU 50 3.432 -8.960 10.512 338 2HD2 LEU 50 2HD2 LEU 50 3.490 -8.180 8.931 339 3HD2 LEU 50 3HD2 LEU 50 4.617 -7.691 10.197 340 H THR 51 H THR 51 3.783 -13.888 9.099 341 HA THR 51 HA THR 51 2.155 -14.413 6.898 342 HB THR 51 HB THR 51 3.065 -16.338 9.051 343 HG1 THR 51 1HG THR 51 4.789 -15.288 7.936 344 1HG2 THR 51 1HG2 THR 51 2.071 -16.879 6.250 345 2HG2 THR 51 2HG2 THR 51 1.226 -17.277 7.746 346 3HG2 THR 51 3HG2 THR 51 2.745 -18.082 7.354 347 H ARG 52 H ARG 52 1.502 -15.174 10.335 348 HA ARG 52 HA ARG 52 -1.084 -16.142 9.890 349 2HB ARG 52 2HB ARG 52 -1.419 -15.649 12.362 350 2HG ARG 52 2HG ARG 52 0.414 -17.214 13.105 351 2HD ARG 52 2HD ARG 52 -1.718 -18.145 12.502 352 HE ARG 52 HE ARG 52 -1.935 -17.162 10.220 353 1HH1 ARG 52 1HH1 ARG 52 -0.616 -20.390 10.612 354 2HH1 ARG 52 2HH1 ARG 52 -1.105 -20.906 9.018 355 1HH2 ARG 52 1HH2 ARG 52 -2.569 -17.832 8.149 356 2HH2 ARG 52 2HH2 ARG 52 -2.197 -19.449 7.609 357 H LEU 53 H LEU 53 0.085 -12.888 10.237 358 HA LEU 53 HA LEU 53 -2.481 -11.707 10.680 359 2HB LEU 53 2HB LEU 53 -1.261 -9.573 10.105 360 HG LEU 53 HG LEU 53 -0.061 -11.312 12.256 361 1HD1 LEU 53 1HD1 LEU 53 1.536 -9.595 11.612 362 2HD1 LEU 53 2HD1 LEU 53 0.840 -9.239 13.192 363 3HD1 LEU 53 3HD1 LEU 53 0.289 -8.357 11.768 364 1HD2 LEU 53 1HD2 LEU 53 -2.078 -9.073 12.353 365 2HD2 LEU 53 2HD2 LEU 53 -1.446 -9.962 13.740 366 3HD2 LEU 53 3HD2 LEU 53 -2.432 -10.792 12.538 367 H TYR 54 H TYR 54 -0.402 -12.080 7.776 368 HA TYR 54 HA TYR 54 -2.595 -10.841 6.227 369 2HB TYR 54 2HB TYR 54 -0.961 -9.751 4.821 370 HD1 TYR 54 1HD TYR 54 1.243 -9.749 7.689 371 HD2 TYR 54 2HD TYR 54 -2.225 -7.957 6.000 372 HE1 TYR 54 1HE TYR 54 1.452 -7.881 9.267 373 HE2 TYR 54 2HE TYR 54 -2.025 -6.078 7.575 374 HH TYR 54 HH TYR 54 0.778 -5.576 9.476 375 H ASN 55 H ASN 55 -1.325 -13.802 6.602 376 HA ASN 55 HA ASN 55 -0.347 -14.535 4.076 377 2HB ASN 55 2HB ASN 55 -1.829 -16.265 6.067 378 1HD2 ASN 55 1HD2 ASN 55 1.133 -16.946 4.394 379 2HD2 ASN 55 2HD2 ASN 55 0.532 -18.258 3.433 380 H ASP 56 H ASP 56 -3.645 -14.781 5.354 381 HA ASP 56 HA ASP 56 -4.635 -15.926 2.921 382 2HB ASP 56 2HB ASP 56 -6.212 -14.807 5.243 383 H ARG 57 H ARG 57 -4.200 -12.729 4.123 384 HA ARG 57 HA ARG 57 -5.507 -11.705 1.714 385 2HB ARG 57 2HB ARG 57 -5.940 -9.592 3.097 386 2HG ARG 57 2HG ARG 57 -7.442 -12.093 3.826 387 2HD ARG 57 2HD ARG 57 -9.294 -10.487 4.293 388 HE ARG 57 HE ARG 57 -7.034 -10.085 6.158 389 1HH1 ARG 57 1HH1 ARG 57 -10.148 -11.477 5.356 390 2HH1 ARG 57 2HH1 ARG 57 -10.440 -12.068 6.962 391 1HH2 ARG 57 1HH2 ARG 57 -7.427 -10.868 8.291 392 2HH2 ARG 57 2HH2 ARG 57 -8.911 -11.718 8.620 393 H VAL 58 H VAL 58 -3.264 -12.028 0.919 394 HA VAL 58 HA VAL 58 -1.347 -10.166 1.962 395 HB VAL 58 HB VAL 58 -0.095 -10.991 -0.235 396 1HG1 VAL 58 1HG1 VAL 58 -0.320 -12.535 2.325 397 2HG1 VAL 58 2HG1 VAL 58 0.694 -11.117 2.037 398 3HG1 VAL 58 3HG1 VAL 58 1.013 -12.627 1.174 399 1HG2 VAL 58 1HG2 VAL 58 -0.530 -13.405 -0.541 400 2HG2 VAL 58 2HG2 VAL 58 -1.855 -12.372 -1.083 401 3HG2 VAL 58 3HG2 VAL 58 -1.982 -13.233 0.453 402 HA PRO 59 HA PRO 59 0.099 -7.586 -1.061 403 2HB PRO 59 2HB PRO 59 -0.426 -7.119 -3.280 404 2HG PRO 59 2HG PRO 59 0.238 -9.244 -3.704 405 2HD PRO 59 2HD PRO 59 0.389 -10.284 -1.688 406 H VAL 60 H VAL 60 -0.378 -6.280 0.633 407 HA VAL 60 HA VAL 60 -3.020 -4.939 0.634 408 HB VAL 60 HB VAL 60 -1.960 -4.969 3.286 409 1HG1 VAL 60 1HG1 VAL 60 -4.347 -4.781 2.608 410 2HG1 VAL 60 2HG1 VAL 60 -4.049 -5.990 3.857 411 3HG1 VAL 60 3HG1 VAL 60 -4.318 -6.500 2.190 412 1HG2 VAL 60 1HG2 VAL 60 -0.696 -6.918 2.698 413 2HG2 VAL 60 2HG2 VAL 60 -2.123 -7.660 1.965 414 3HG2 VAL 60 3HG2 VAL 60 -2.056 -7.403 3.714 415 H LEU 61 H LEU 61 -3.006 -2.708 1.086 416 HA LEU 61 HA LEU 61 -0.390 -1.441 1.022 417 2HB LEU 61 2HB LEU 61 -1.851 0.692 1.019 418 HG LEU 61 HG LEU 61 -2.184 -1.159 -1.331 419 1HD1 LEU 61 1HD1 LEU 61 -2.268 1.839 -1.082 420 2HD1 LEU 61 2HD1 LEU 61 -3.629 0.774 -1.442 421 3HD1 LEU 61 3HD1 LEU 61 -2.309 0.944 -2.601 422 1HD2 LEU 61 1HD2 LEU 61 0.168 -1.006 -0.731 423 2HD2 LEU 61 2HD2 LEU 61 0.051 0.754 -0.678 424 3HD2 LEU 61 3HD2 LEU 61 -0.153 -0.096 -2.207 425 H PHE 62 H PHE 62 0.655 -0.813 2.704 426 HA PHE 62 HA PHE 62 -0.741 -0.420 5.258 427 2HB PHE 62 2HB PHE 62 2.160 -0.967 4.603 428 HD1 PHE 62 1HD PHE 62 0.098 -1.543 7.630 429 HD2 PHE 62 2HD PHE 62 3.465 0.430 5.935 430 HE1 PHE 62 1HE PHE 62 0.800 -0.819 9.872 431 HE2 PHE 62 2HE PHE 62 4.179 1.147 8.178 432 HZ PHE 62 HZ PHE 62 2.845 0.522 10.148 433 H ALA 63 H ALA 63 -0.877 1.549 6.122 434 HA ALA 63 HA ALA 63 0.174 3.813 4.688 435 1HB ALA 63 1HB ALA 63 -1.369 3.687 7.274 436 2HB ALA 63 2HB ALA 63 -2.060 3.864 5.659 437 3HB ALA 63 3HB ALA 63 -1.043 5.141 6.328 438 H VAL 64 H VAL 64 2.316 4.194 4.899 439 HA VAL 64 HA VAL 64 3.704 3.591 7.358 440 HB VAL 64 HB VAL 64 4.766 4.938 4.867 441 1HG1 VAL 64 1HG1 VAL 64 6.163 5.349 6.823 442 2HG1 VAL 64 2HG1 VAL 64 6.967 4.258 5.691 443 3HG1 VAL 64 3HG1 VAL 64 6.220 3.616 7.157 444 1HG2 VAL 64 1HG2 VAL 64 5.635 2.739 4.269 445 2HG2 VAL 64 2HG2 VAL 64 3.875 2.721 4.393 446 3HG2 VAL 64 3HG2 VAL 64 4.858 2.044 5.689 447 H ASN 65 H ASN 65 2.559 5.007 8.723 448 HA ASN 65 HA ASN 65 3.920 7.275 9.484 449 2HB ASN 65 2HB ASN 65 1.341 8.124 8.162 450 1HD2 ASN 65 1HD2 ASN 65 2.941 10.337 7.031 451 2HD2 ASN 65 2HD2 ASN 65 3.170 11.437 8.342 452 H GLU 66 H GLU 66 0.488 6.446 9.079 453 HA GLU 66 HA GLU 66 0.009 6.882 11.909 454 2HB GLU 66 2HB GLU 66 -2.216 5.815 10.349 455 2HG GLU 66 2HG GLU 66 -3.341 7.867 11.067 456 H ASP 67 H ASP 67 0.938 4.354 9.927 457 HA ASP 67 HA ASP 67 1.293 2.146 10.280 458 2HB ASP 67 2HB ASP 67 0.849 3.013 13.141 459 H LYS 68 H LYS 68 -0.612 1.753 9.040 460 HA LYS 68 HA LYS 68 -2.357 -0.102 10.262 461 2HB LYS 68 2HB LYS 68 -3.632 1.668 11.146 462 2HG LYS 68 2HG LYS 68 -2.995 3.094 8.627 463 2HD LYS 68 2HD LYS 68 -5.359 3.177 8.439 464 2HE LYS 68 2HE LYS 68 -5.937 2.334 10.671 465 1HZ LYS 68 1HZ LYS 68 -5.300 5.089 11.585 466 2HZ LYS 68 2HZ LYS 68 -4.502 3.667 12.057 467 3HZ LYS 68 3HZ LYS 68 -6.116 3.921 12.503 468 H GLU 69 H GLU 69 -3.480 -1.320 8.755 469 HA GLU 69 HA GLU 69 -2.724 -1.035 5.996 470 2HB GLU 69 2HB GLU 69 -4.016 -3.039 5.595 471 2HG GLU 69 2HG GLU 69 -1.868 -3.215 7.066 472 H LEU 70 H LEU 70 -3.920 -0.239 4.323 473 HA LEU 70 HA LEU 70 -6.442 1.074 5.052 474 2HB LEU 70 2HB LEU 70 -6.225 2.320 2.972 475 HG LEU 70 HG LEU 70 -3.518 2.384 4.293 476 1HD1 LEU 70 1HD1 LEU 70 -5.088 4.426 2.723 477 2HD1 LEU 70 2HD1 LEU 70 -3.631 3.583 2.197 478 3HD1 LEU 70 3HD1 LEU 70 -3.552 4.723 3.539 479 1HD2 LEU 70 1HD2 LEU 70 -6.044 3.850 5.066 480 2HD2 LEU 70 2HD2 LEU 70 -4.439 4.138 5.739 481 3HD2 LEU 70 3HD2 LEU 70 -5.240 2.591 6.006 482 H CYS 71 H CYS 71 -5.422 -0.135 1.898 483 HA CYS 71 HA CYS 71 -7.285 -2.293 1.819 484 2HB CYS 71 2HB CYS 71 -7.963 0.157 0.177 485 HG CYS 71 HG CYS 71 -9.810 -0.980 -1.209 486 H HIS 72 H HIS 72 -7.019 -3.551 -0.042 487 HA HIS 72 HA HIS 72 -5.358 -2.528 -2.192 488 2HB HIS 72 2HB HIS 72 -4.568 -5.211 -1.123 489 HD1 HIS 72 1HD HIS 72 -3.398 -5.834 -3.286 490 HD2 HIS 72 2HD HIS 72 -2.233 -2.129 -1.812 491 HE1 HIS 72 1HE HIS 72 -1.434 -5.134 -4.697 492 H TYR 73 H TYR 73 -5.015 -4.741 -3.666 493 HA TYR 73 HA TYR 73 -5.919 -6.645 -4.631 494 2HB TYR 73 2HB TYR 73 -8.454 -6.982 -4.631 495 HD1 TYR 73 1HD TYR 73 -8.408 -6.445 -1.164 496 HD2 TYR 73 2HD TYR 73 -6.741 -8.949 -4.171 497 HE1 TYR 73 1HE TYR 73 -7.942 -8.163 0.531 498 HE2 TYR 73 2HE TYR 73 -6.273 -10.673 -2.483 499 HH TYR 73 HH TYR 73 -5.893 -10.763 -0.014 500 H PHE 74 H PHE 74 -8.461 -4.137 -4.942 501 HA PHE 74 HA PHE 74 -7.697 -3.989 -7.785 502 2HB PHE 74 2HB PHE 74 -10.248 -3.576 -8.127 503 HD1 PHE 74 1HD PHE 74 -10.406 -6.655 -6.338 504 HD2 PHE 74 2HD PHE 74 -9.077 -4.878 -9.968 505 HE1 PHE 74 1HE PHE 74 -10.356 -8.874 -7.399 506 HE2 PHE 74 2HE PHE 74 -9.017 -7.093 -11.039 507 HZ PHE 74 HZ PHE 74 -9.662 -9.096 -9.753 508 H LEU 75 H LEU 75 -7.634 -2.333 -5.086 509 HA LEU 75 HA LEU 75 -7.246 -0.158 -4.605 510 2HB LEU 75 2HB LEU 75 -7.793 0.438 -7.507 511 HG LEU 75 HG LEU 75 -7.712 2.456 -6.049 512 1HD1 LEU 75 1HD1 LEU 75 -5.641 3.075 -4.974 513 2HD1 LEU 75 2HD1 LEU 75 -4.886 1.575 -5.514 514 3HD1 LEU 75 3HD1 LEU 75 -6.208 1.525 -4.346 515 1HD2 LEU 75 1HD2 LEU 75 -6.024 3.641 -7.371 516 2HD2 LEU 75 2HD2 LEU 75 -7.019 2.585 -8.375 517 3HD2 LEU 75 3HD2 LEU 75 -5.383 2.095 -7.932 518 H ASP 76 H ASP 76 -8.581 0.973 -3.423 519 HA ASP 76 HA ASP 76 -11.403 1.069 -4.059 520 2HB ASP 76 2HB ASP 76 -10.772 0.627 -1.761 521 H SER 77 H SER 77 -8.681 3.286 -3.787 522 HA SER 77 HA SER 77 -8.327 5.438 -4.399 523 2HB SER 77 2HB SER 77 -9.464 6.298 -6.343 524 HG SER 77 HG SER 77 -9.519 3.606 -6.999 525 H ASP 78 H ASP 78 -10.251 4.717 -2.213 526 HA ASP 78 HA ASP 78 -11.714 7.269 -2.105 527 2HB ASP 78 2HB ASP 78 -12.694 4.537 -1.264 528 H VAL 79 H VAL 79 -10.623 4.505 -0.179 529 HA VAL 79 HA VAL 79 -10.504 6.016 2.257 530 HB VAL 79 HB VAL 79 -9.476 3.262 1.550 531 1HG1 VAL 79 1HG1 VAL 79 -9.240 2.910 3.976 532 2HG1 VAL 79 2HG1 VAL 79 -9.622 4.607 4.253 533 3HG1 VAL 79 3HG1 VAL 79 -8.153 4.165 3.385 534 1HG2 VAL 79 1HG2 VAL 79 -11.897 4.208 3.076 535 2HG2 VAL 79 2HG2 VAL 79 -11.392 2.524 2.923 536 3HG2 VAL 79 3HG2 VAL 79 -11.882 3.431 1.491 537 H ILE 80 H ILE 80 -8.147 4.722 -0.081 538 HA ILE 80 HA ILE 80 -5.878 5.865 1.181 539 HB ILE 80 HB ILE 80 -5.603 4.120 -0.512 540 2HG1 ILE 80 2HG1 ILE 80 -4.360 6.766 -1.286 541 1HG2 ILE 80 1HG2 ILE 80 -6.505 6.188 -2.493 542 2HG2 ILE 80 2HG2 ILE 80 -7.440 4.783 -1.976 543 3HG2 ILE 80 3HG2 ILE 80 -5.932 4.562 -2.864 544 1HD1 ILE 80 1HD1 ILE 80 -3.273 4.542 0.409 545 2HD1 ILE 80 2HD1 ILE 80 -3.878 6.088 1.008 546 3HD1 ILE 80 3HD1 ILE 80 -2.449 6.040 -0.025 547 H GLY 81 H GLY 81 -8.288 7.097 -1.037 548 1HA GLY 81 1HA GLY 81 -6.982 9.518 -1.722 549 2HA GLY 81 2HA GLY 81 -8.713 9.224 -1.807 550 H ALA 82 H ALA 82 -8.888 8.526 1.017 551 HA ALA 82 HA ALA 82 -9.187 11.159 2.116 552 1HB ALA 82 1HB ALA 82 -10.808 9.413 2.626 553 2HB ALA 82 2HB ALA 82 -10.022 9.965 4.104 554 3HB ALA 82 3HB ALA 82 -9.544 8.434 3.371 555 H TYR 83 H TYR 83 -6.837 8.612 2.250 556 HA TYR 83 HA TYR 83 -5.509 9.664 4.602 557 2HB TYR 83 2HB TYR 83 -4.951 7.332 2.774 558 HD1 TYR 83 1HD TYR 83 -3.981 8.119 6.285 559 HD2 TYR 83 2HD TYR 83 -2.666 7.129 2.353 560 HE1 TYR 83 1HE TYR 83 -1.684 7.854 7.122 561 HE2 TYR 83 2HE TYR 83 -0.372 6.856 3.191 562 HH TYR 83 HH TYR 83 0.375 6.762 6.527 563 H LEU 84 H LEU 84 -4.869 9.389 1.132 564 HA LEU 84 HA LEU 84 -2.195 10.376 1.359 565 2HB LEU 84 2HB LEU 84 -3.162 10.568 -1.316 566 HG LEU 84 HG LEU 84 -1.774 8.480 -1.665 567 1HD1 LEU 84 1HD1 LEU 84 -0.879 10.732 -1.998 568 2HD1 LEU 84 2HD1 LEU 84 0.344 9.649 -1.328 569 3HD1 LEU 84 3HD1 LEU 84 -0.464 10.824 -0.286 570 1HD2 LEU 84 1HD2 LEU 84 -1.083 8.927 1.234 571 2HD2 LEU 84 2HD2 LEU 84 -0.329 7.768 0.141 572 3HD2 LEU 84 3HD2 LEU 84 -2.020 7.574 0.602 573 H SER 85 H SER 85 -5.168 11.915 1.362 574 HA SER 85 HA SER 85 -4.069 14.412 0.321 575 2HB SER 85 2HB SER 85 -6.341 15.270 0.465 576 HG SER 85 HG SER 85 -6.930 12.734 -0.477 Start of MODEL 14 1 HA MET 1 HA MET 1 3.982 32.462 1.983 2 2HB MET 1 2HB MET 1 4.159 30.916 3.848 3 2HG MET 1 2HG MET 1 3.656 32.291 5.770 4 1HE MET 1 1HE MET 1 5.692 35.616 5.602 5 2HE MET 1 2HE MET 1 5.002 34.379 6.652 6 3HE MET 1 3HE MET 1 3.941 35.441 5.729 7 H ASN 2 H ASN 2 4.657 30.651 0.887 8 HA ASN 2 HA ASN 2 2.568 29.058 -0.362 9 2HB ASN 2 2HB ASN 2 5.571 29.039 -0.778 10 1HD2 ASN 2 1HD2 ASN 2 6.363 27.742 -2.377 11 2HD2 ASN 2 2HD2 ASN 2 5.456 26.456 -3.098 12 H ASN 3 H ASN 3 1.809 27.794 1.324 13 HA ASN 3 HA ASN 3 3.621 26.156 2.844 14 2HB ASN 3 2HB ASN 3 1.382 25.044 3.567 15 1HD2 ASN 3 1HD2 ASN 3 -0.230 27.178 4.671 16 2HD2 ASN 3 2HD2 ASN 3 0.744 27.954 5.877 17 H GLN 4 H GLN 4 4.664 25.146 1.066 18 HA GLN 4 HA GLN 4 3.325 23.278 -0.605 19 2HB GLN 4 2HB GLN 4 6.228 23.472 0.235 20 2HG GLN 4 2HG GLN 4 5.001 21.930 -2.036 21 1HE2 GLN 4 1HE2 GLN 4 8.077 21.559 -0.437 22 2HE2 GLN 4 2HE2 GLN 4 9.059 21.936 -1.815 23 H VAL 5 H VAL 5 2.325 21.538 0.117 24 HA VAL 5 HA VAL 5 2.511 20.776 2.826 25 HB VAL 5 HB VAL 5 0.940 18.954 2.238 26 1HG1 VAL 5 1HG1 VAL 5 0.234 21.687 1.189 27 2HG1 VAL 5 2HG1 VAL 5 0.108 21.136 2.859 28 3HG1 VAL 5 3HG1 VAL 5 -0.919 20.424 1.616 29 1HG2 VAL 5 1HG2 VAL 5 1.731 18.459 -0.007 30 2HG2 VAL 5 2HG2 VAL 5 1.206 20.049 -0.561 31 3HG2 VAL 5 3HG2 VAL 5 0.014 18.862 -0.031 32 H GLU 6 H GLU 6 2.886 18.741 3.651 33 HA GLU 6 HA GLU 6 5.279 17.483 2.666 34 2HB GLU 6 2HB GLU 6 5.058 17.898 5.042 35 2HG GLU 6 2HG GLU 6 2.775 15.962 5.155 36 HA PRO 7 HA PRO 7 3.185 14.140 0.721 37 2HB PRO 7 2HB PRO 7 5.255 13.847 -0.263 38 2HG PRO 7 2HG PRO 7 7.193 14.002 0.970 39 2HD PRO 7 2HD PRO 7 6.412 15.851 2.031 40 H ARG 8 H ARG 8 2.754 11.753 0.853 41 HA ARG 8 HA ARG 8 2.359 10.919 3.651 42 2HB ARG 8 2HB ARG 8 0.516 9.579 2.932 43 2HG ARG 8 2HG ARG 8 0.102 12.126 2.820 44 2HD ARG 8 2HD ARG 8 0.143 11.350 -0.087 45 HE ARG 8 HE ARG 8 -1.740 13.059 0.982 46 1HH1 ARG 8 1HH1 ARG 8 0.874 13.255 -1.324 47 2HH1 ARG 8 2HH1 ARG 8 0.124 14.506 -2.276 48 1HH2 ARG 8 1HH2 ARG 8 -2.769 14.670 -0.304 49 2HH2 ARG 8 2HH2 ARG 8 -1.955 15.284 -1.711 50 H LYS 9 H LYS 9 2.188 8.275 3.545 51 HA LYS 9 HA LYS 9 4.115 7.166 1.686 52 2HB LYS 9 2HB LYS 9 4.593 6.486 4.541 53 2HG LYS 9 2HG LYS 9 6.970 6.457 3.823 54 2HD LYS 9 2HD LYS 9 5.124 4.699 2.201 55 2HE LYS 9 2HE LYS 9 7.531 4.716 1.504 56 1HZ LYS 9 1HZ LYS 9 9.181 3.884 2.897 57 2HZ LYS 9 2HZ LYS 9 8.081 3.308 4.041 58 3HZ LYS 9 3HZ LYS 9 8.350 4.978 3.888 59 H LEU 10 H LEU 10 3.484 5.183 1.080 60 HA LEU 10 HA LEU 10 1.686 3.690 2.863 61 2HB LEU 10 2HB LEU 10 0.520 2.838 0.857 62 HG LEU 10 HG LEU 10 0.498 5.858 0.982 63 1HD1 LEU 10 1HD1 LEU 10 -1.712 5.660 -0.052 64 2HD1 LEU 10 2HD1 LEU 10 -1.475 3.923 -0.220 65 3HD1 LEU 10 3HD1 LEU 10 -0.440 5.042 -1.102 66 1HD2 LEU 10 1HD2 LEU 10 -1.241 3.803 2.343 67 2HD2 LEU 10 2HD2 LEU 10 -1.488 5.548 2.387 68 3HD2 LEU 10 3HD2 LEU 10 -0.050 4.843 3.126 69 H VAL 11 H VAL 11 2.072 1.564 3.094 70 HA VAL 11 HA VAL 11 4.349 0.433 1.598 71 HB VAL 11 HB VAL 11 3.429 -0.174 4.417 72 1HG1 VAL 11 1HG1 VAL 11 5.211 -1.828 4.521 73 2HG1 VAL 11 2HG1 VAL 11 5.633 -1.504 2.839 74 3HG1 VAL 11 3HG1 VAL 11 4.075 -2.232 3.229 75 1HG2 VAL 11 1HG2 VAL 11 5.669 0.575 5.046 76 2HG2 VAL 11 2HG2 VAL 11 4.777 1.845 4.209 77 3HG2 VAL 11 3HG2 VAL 11 6.026 0.935 3.356 78 H VAL 12 H VAL 12 4.058 -1.485 0.574 79 HA VAL 12 HA VAL 12 1.412 -2.746 0.855 80 HB VAL 12 HB VAL 12 3.317 -2.817 -1.487 81 1HG1 VAL 12 1HG1 VAL 12 2.208 -4.971 -1.193 82 2HG1 VAL 12 2HG1 VAL 12 1.599 -4.139 -2.624 83 3HG1 VAL 12 3HG1 VAL 12 0.645 -4.163 -1.140 84 1HG2 VAL 12 1HG2 VAL 12 0.585 -1.606 -1.161 85 2HG2 VAL 12 2HG2 VAL 12 1.479 -1.703 -2.679 86 3HG2 VAL 12 3HG2 VAL 12 2.108 -0.734 -1.345 87 H TYR 13 H TYR 13 1.498 -4.463 2.141 88 HA TYR 13 HA TYR 13 3.902 -6.101 2.282 89 2HB TYR 13 2HB TYR 13 2.610 -7.441 3.934 90 HD1 TYR 13 1HD TYR 13 0.965 -4.411 4.883 91 HD2 TYR 13 2HD TYR 13 4.718 -6.419 4.904 92 HE1 TYR 13 1HE TYR 13 1.753 -2.923 6.678 93 HE2 TYR 13 2HE TYR 13 5.507 -4.947 6.705 94 HH TYR 13 HH TYR 13 3.423 -2.928 8.474 95 H GLY 14 H GLY 14 4.195 -7.891 1.109 96 1HA GLY 14 1HA GLY 14 2.073 -9.607 0.333 97 2HA GLY 14 2HA GLY 14 2.569 -8.594 -1.014 98 H ARG 15 H ARG 15 3.085 -10.703 -1.948 99 HA ARG 15 HA ARG 15 5.919 -11.124 -1.622 100 2HB ARG 15 2HB ARG 15 4.999 -12.769 -0.067 101 2HG ARG 15 2HG ARG 15 3.621 -14.058 -2.405 102 2HD ARG 15 2HD ARG 15 2.770 -15.612 -0.803 103 HE ARG 15 HE ARG 15 5.563 -15.421 -1.107 104 1HH1 ARG 15 1HH1 ARG 15 3.164 -17.034 0.894 105 2HH1 ARG 15 2HH1 ARG 15 4.219 -18.364 1.282 106 1HH2 ARG 15 1HH2 ARG 15 6.934 -17.143 -0.574 107 2HH2 ARG 15 2HH2 ARG 15 6.360 -18.421 0.459 108 H GLU 16 H GLU 16 6.883 -11.508 -3.511 109 HA GLU 16 HA GLU 16 5.457 -10.899 -5.855 110 2HB GLU 16 2HB GLU 16 7.599 -11.314 -7.001 111 2HG GLU 16 2HG GLU 16 8.002 -9.939 -4.352 112 H GLY 17 H GLY 17 4.245 -12.113 -7.068 113 1HA GLY 17 1HA GLY 17 4.486 -14.384 -8.341 114 2HA GLY 17 2HA GLY 17 4.315 -15.018 -6.709 115 H CYS 18 H CYS 18 2.519 -12.640 -6.117 116 HA CYS 18 HA CYS 18 0.072 -13.818 -7.190 117 2HB CYS 18 2HB CYS 18 0.028 -13.585 -4.817 118 HG CYS 18 HG CYS 18 2.128 -11.811 -4.285 119 H HIS 19 H HIS 19 -1.182 -12.819 -8.651 120 HA HIS 19 HA HIS 19 0.010 -10.712 -10.132 121 2HB HIS 19 2HB HIS 19 -2.752 -11.909 -10.414 122 HD1 HIS 19 1HD HIS 19 -0.037 -10.190 -12.475 123 HD2 HIS 19 2HD HIS 19 -4.174 -10.603 -12.279 124 HE1 HIS 19 1HE HIS 19 -0.955 -8.766 -14.341 125 H LEU 20 H LEU 20 -2.635 -10.791 -7.793 126 HA LEU 20 HA LEU 20 -3.736 -8.282 -8.341 127 2HB LEU 20 2HB LEU 20 -4.399 -8.302 -5.875 128 HG LEU 20 HG LEU 20 -5.130 -10.858 -7.294 129 1HD1 LEU 20 1HD1 LEU 20 -5.868 -10.591 -4.950 130 2HD1 LEU 20 2HD1 LEU 20 -7.214 -10.631 -6.090 131 3HD1 LEU 20 3HD1 LEU 20 -6.686 -9.091 -5.405 132 1HD2 LEU 20 1HD2 LEU 20 -5.345 -8.981 -8.857 133 2HD2 LEU 20 2HD2 LEU 20 -6.322 -8.114 -7.671 134 3HD2 LEU 20 3HD2 LEU 20 -6.922 -9.614 -8.377 135 H CYS 21 H CYS 21 -0.855 -9.137 -6.561 136 HA CYS 21 HA CYS 21 -0.369 -6.691 -5.291 137 2HB CYS 21 2HB CYS 21 1.651 -8.657 -6.402 138 HG CYS 21 HG CYS 21 2.491 -5.882 -5.419 139 H GLU 22 H GLU 22 0.432 -7.843 -8.537 140 HA GLU 22 HA GLU 22 1.974 -5.631 -9.363 141 2HB GLU 22 2HB GLU 22 1.490 -6.410 -11.651 142 2HG GLU 22 2HG GLU 22 2.012 -8.650 -9.713 143 H GLU 23 H GLU 23 -1.463 -6.384 -9.625 144 HA GLU 23 HA GLU 23 -2.207 -4.198 -11.221 145 2HB GLU 23 2HB GLU 23 -4.505 -4.712 -10.488 146 2HG GLU 23 2HG GLU 23 -2.877 -7.199 -10.955 147 H MET 24 H MET 24 -2.081 -4.597 -7.719 148 HA MET 24 HA MET 24 -3.145 -2.036 -7.113 149 2HB MET 24 2HB MET 24 -2.119 -2.385 -4.857 150 2HG MET 24 2HG MET 24 -3.535 -4.859 -5.820 151 1HE MET 24 1HE MET 24 -4.639 -2.393 -2.982 152 2HE MET 24 2HE MET 24 -2.884 -2.223 -2.977 153 3HE MET 24 3HE MET 24 -3.700 -2.984 -1.609 154 H ILE 25 H ILE 25 0.208 -3.247 -7.305 155 HA ILE 25 HA ILE 25 1.484 -0.862 -6.593 156 HB ILE 25 HB ILE 25 2.453 -3.098 -8.371 157 2HG1 ILE 25 2HG1 ILE 25 1.971 -3.698 -6.028 158 1HG2 ILE 25 1HG2 ILE 25 4.718 -2.209 -8.011 159 2HG2 ILE 25 2HG2 ILE 25 4.028 -0.801 -7.205 160 3HG2 ILE 25 3HG2 ILE 25 3.700 -1.089 -8.914 161 1HD1 ILE 25 1HD1 ILE 25 3.846 -4.854 -7.057 162 2HD1 ILE 25 2HD1 ILE 25 4.153 -4.555 -5.346 163 3HD1 ILE 25 3HD1 ILE 25 4.932 -3.553 -6.571 164 H ALA 26 H ALA 26 0.645 -2.087 -9.840 165 HA ALA 26 HA ALA 26 1.748 0.010 -11.319 166 1HB ALA 26 1HB ALA 26 0.986 -2.075 -12.312 167 2HB ALA 26 2HB ALA 26 0.252 -0.690 -13.121 168 3HB ALA 26 3HB ALA 26 -0.687 -1.643 -11.969 169 H SER 27 H SER 27 -1.367 -0.274 -9.728 170 HA SER 27 HA SER 27 -2.493 2.102 -10.792 171 2HB SER 27 2HB SER 27 -4.165 1.831 -8.974 172 HG SER 27 HG SER 27 -3.626 -0.771 -9.928 173 H LEU 28 H LEU 28 -0.692 1.346 -7.836 174 HA LEU 28 HA LEU 28 -0.975 3.889 -6.633 175 2HB LEU 28 2HB LEU 28 0.894 3.188 -5.193 176 HG LEU 28 HG LEU 28 -0.979 0.873 -5.679 177 1HD1 LEU 28 1HD1 LEU 28 -0.513 0.320 -3.343 178 2HD1 LEU 28 2HD1 LEU 28 0.667 1.629 -3.275 179 3HD1 LEU 28 3HD1 LEU 28 0.941 0.251 -4.340 180 1HD2 LEU 28 1HD2 LEU 28 -2.200 2.954 -5.279 181 2HD2 LEU 28 2HD2 LEU 28 -1.258 3.229 -3.814 182 3HD2 LEU 28 3HD2 LEU 28 -2.352 1.850 -3.914 183 H ARG 29 H ARG 29 1.345 2.549 -8.894 184 HA ARG 29 HA ARG 29 3.299 4.569 -8.768 185 2HB ARG 29 2HB ARG 29 3.821 3.804 -11.141 186 2HG ARG 29 2HG ARG 29 4.344 1.419 -10.472 187 2HD ARG 29 2HD ARG 29 6.001 2.118 -8.761 188 HE ARG 29 HE ARG 29 6.277 2.672 -11.247 189 1HH1 ARG 29 1HH1 ARG 29 6.339 5.066 -8.685 190 2HH1 ARG 29 2HH1 ARG 29 7.368 6.165 -9.554 191 1HH2 ARG 29 1HH2 ARG 29 7.633 4.086 -12.384 192 2HH2 ARG 29 2HH2 ARG 29 8.109 5.598 -11.677 193 H VAL 30 H VAL 30 0.374 4.298 -10.757 194 HA VAL 30 HA VAL 30 0.849 6.775 -12.112 195 HB VAL 30 HB VAL 30 -1.689 5.147 -11.864 196 1HG1 VAL 30 1HG1 VAL 30 -2.182 7.482 -12.404 197 2HG1 VAL 30 2HG1 VAL 30 -2.497 6.426 -13.780 198 3HG1 VAL 30 3HG1 VAL 30 -1.038 7.415 -13.745 199 1HG2 VAL 30 1HG2 VAL 30 0.398 5.302 -14.034 200 2HG2 VAL 30 2HG2 VAL 30 -1.131 4.426 -14.157 201 3HG2 VAL 30 3HG2 VAL 30 0.078 3.928 -12.971 202 H LEU 31 H LEU 31 -1.013 5.768 -9.296 203 HA LEU 31 HA LEU 31 -2.352 8.209 -8.849 204 2HB LEU 31 2HB LEU 31 -1.838 6.978 -6.356 205 HG LEU 31 HG LEU 31 -4.253 6.547 -8.108 206 1HD1 LEU 31 1HD1 LEU 31 -3.859 6.384 -5.126 207 2HD1 LEU 31 2HD1 LEU 31 -4.109 5.024 -6.222 208 3HD1 LEU 31 3HD1 LEU 31 -5.394 6.203 -5.972 209 1HD2 LEU 31 1HD2 LEU 31 -5.223 8.454 -6.876 210 2HD2 LEU 31 2HD2 LEU 31 -3.855 8.921 -7.887 211 3HD2 LEU 31 3HD2 LEU 31 -3.646 8.752 -6.143 212 H GLN 32 H GLN 32 0.837 7.056 -7.986 213 HA GLN 32 HA GLN 32 1.674 8.899 -6.116 214 2HB GLN 32 2HB GLN 32 3.930 8.654 -7.546 215 2HG GLN 32 2HG GLN 32 2.729 6.332 -6.062 216 1HE2 GLN 32 1HE2 GLN 32 4.249 4.865 -5.261 217 2HE2 GLN 32 2HE2 GLN 32 5.829 4.712 -5.960 218 H LYS 33 H LYS 33 1.258 9.321 -9.557 219 HA LYS 33 HA LYS 33 2.745 11.748 -9.748 220 2HB LYS 33 2HB LYS 33 1.904 11.858 -12.010 221 2HG LYS 33 2HG LYS 33 2.344 8.946 -11.428 222 2HD LYS 33 2HD LYS 33 3.549 9.053 -13.562 223 2HE LYS 33 2HE LYS 33 0.708 10.048 -13.593 224 1HZ LYS 33 1HZ LYS 33 0.667 9.161 -15.878 225 2HZ LYS 33 2HZ LYS 33 2.359 9.009 -15.831 226 3HZ LYS 33 3HZ LYS 33 1.641 10.539 -15.716 227 H LYS 34 H LYS 34 -0.481 10.946 -8.873 228 HA LYS 34 HA LYS 34 -1.469 13.664 -9.313 229 2HB LYS 34 2HB LYS 34 -3.650 12.767 -8.800 230 2HG LYS 34 2HG LYS 34 -2.145 10.726 -10.432 231 2HD LYS 34 2HD LYS 34 -5.089 11.406 -10.426 232 2HE LYS 34 2HE LYS 34 -3.545 9.254 -11.871 233 1HZ LYS 34 1HZ LYS 34 -5.846 8.654 -11.291 234 2HZ LYS 34 2HZ LYS 34 -5.613 8.790 -12.964 235 3HZ LYS 34 3HZ LYS 34 -6.407 10.029 -12.116 236 H SER 35 H SER 35 -0.898 11.325 -6.765 237 HA SER 35 HA SER 35 -0.656 13.470 -4.803 238 2HB SER 35 2HB SER 35 -2.046 12.152 -3.179 239 HG SER 35 HG SER 35 -3.862 13.036 -3.906 240 H TRP 36 H TRP 36 1.467 13.161 -4.294 241 HA TRP 36 HA TRP 36 2.741 10.640 -4.564 242 2HB TRP 36 2HB TRP 36 3.783 13.074 -3.105 243 HD1 TRP 36 HD TRP 36 5.441 11.690 -1.538 244 HE1 TRP 36 1HE TRP 36 7.554 10.292 -2.033 245 HE3 TRP 36 3HE TRP 36 4.951 11.234 -6.612 246 HZ2 TRP 36 2HZ TRP 36 8.825 9.163 -4.258 247 HZ3 TRP 36 3HZ TRP 36 6.664 9.973 -7.848 248 HH2 TRP 36 HH TRP 36 8.559 8.960 -6.692 249 H PHE 37 H PHE 37 3.029 9.035 -3.189 250 HA PHE 37 HA PHE 37 2.818 9.501 -0.306 251 2HB PHE 37 2HB PHE 37 0.590 8.813 -0.832 252 HD1 PHE 37 1HD PHE 37 2.125 5.513 -1.558 253 HD2 PHE 37 2HD PHE 37 -0.226 8.733 -3.036 254 HE1 PHE 37 1HE PHE 37 1.485 4.153 -3.500 255 HE2 PHE 37 2HE PHE 37 -0.863 7.379 -4.972 256 HZ PHE 37 HZ PHE 37 -0.014 5.089 -5.215 257 H GLU 38 H GLU 38 4.904 8.716 -2.396 258 HA GLU 38 HA GLU 38 6.700 7.323 -2.572 259 2HB GLU 38 2HB GLU 38 7.387 6.138 -0.441 260 2HG GLU 38 2HG GLU 38 7.567 8.259 0.956 261 H LEU 39 H LEU 39 7.348 4.860 -2.156 262 HA LEU 39 HA LEU 39 5.057 3.145 -1.802 263 2HB LEU 39 2HB LEU 39 6.653 2.747 -4.311 264 HG LEU 39 HG LEU 39 5.478 0.750 -3.869 265 1HD1 LEU 39 1HD1 LEU 39 4.099 1.581 -2.028 266 2HD1 LEU 39 2HD1 LEU 39 3.123 0.688 -3.194 267 3HD1 LEU 39 3HD1 LEU 39 3.080 2.452 -3.174 268 1HD2 LEU 39 1HD2 LEU 39 5.133 1.643 -6.145 269 2HD2 LEU 39 2HD2 LEU 39 3.649 2.424 -5.595 270 3HD2 LEU 39 3HD2 LEU 39 3.772 0.665 -5.595 271 H GLU 40 H GLU 40 5.581 1.356 -0.742 272 HA GLU 40 HA GLU 40 8.348 0.404 -0.866 273 2HB GLU 40 2HB GLU 40 6.815 0.594 1.723 274 2HG GLU 40 2HG GLU 40 9.590 -0.127 0.985 275 H VAL 41 H VAL 41 8.299 -1.635 -1.477 276 HA VAL 41 HA VAL 41 5.917 -3.252 -0.874 277 HB VAL 41 HB VAL 41 8.005 -3.748 -3.009 278 1HG1 VAL 41 1HG1 VAL 41 6.349 -5.371 -3.872 279 2HG1 VAL 41 2HG1 VAL 41 5.363 -5.087 -2.437 280 3HG1 VAL 41 3HG1 VAL 41 6.968 -5.801 -2.277 281 1HG2 VAL 41 1HG2 VAL 41 6.270 -3.062 -4.606 282 2HG2 VAL 41 2HG2 VAL 41 6.740 -1.745 -3.531 283 3HG2 VAL 41 3HG2 VAL 41 5.223 -2.605 -3.262 284 H ILE 42 H ILE 42 6.162 -4.650 0.717 285 HA ILE 42 HA ILE 42 8.891 -5.597 1.305 286 HB ILE 42 HB ILE 42 6.635 -5.132 3.259 287 2HG1 ILE 42 2HG1 ILE 42 7.647 -3.071 2.357 288 1HG2 ILE 42 1HG2 ILE 42 9.483 -6.026 3.711 289 2HG2 ILE 42 2HG2 ILE 42 8.036 -7.009 3.931 290 3HG2 ILE 42 3HG2 ILE 42 8.326 -5.623 4.981 291 1HD1 ILE 42 1HD1 ILE 42 8.412 -2.012 4.389 292 2HD1 ILE 42 2HD1 ILE 42 8.601 -3.590 5.158 293 3HD1 ILE 42 3HD1 ILE 42 6.995 -3.017 4.707 294 H ASN 43 H ASN 43 9.193 -7.675 0.967 295 HA ASN 43 HA ASN 43 6.980 -9.430 0.458 296 2HB ASN 43 2HB ASN 43 9.036 -11.135 0.422 297 1HD2 ASN 43 1HD2 ASN 43 9.726 -8.450 -1.667 298 2HD2 ASN 43 2HD2 ASN 43 8.940 -9.094 -3.068 299 H ILE 44 H ILE 44 5.869 -10.390 1.979 300 HA ILE 44 HA ILE 44 6.972 -10.917 4.600 301 HB ILE 44 HB ILE 44 4.827 -11.790 5.194 302 2HG1 ILE 44 2HG1 ILE 44 4.563 -13.128 3.060 303 1HG2 ILE 44 1HG2 ILE 44 3.327 -9.943 4.573 304 2HG2 ILE 44 2HG2 ILE 44 4.468 -9.450 3.320 305 3HG2 ILE 44 3HG2 ILE 44 4.933 -9.367 5.020 306 1HD1 ILE 44 1HD1 ILE 44 2.139 -11.531 3.855 307 2HD1 ILE 44 2HD1 ILE 44 2.708 -12.999 4.649 308 3HD1 ILE 44 3HD1 ILE 44 2.144 -13.064 2.978 309 H ASP 45 H ASP 45 7.154 -12.309 1.664 310 HA ASP 45 HA ASP 45 6.724 -14.930 1.603 311 2HB ASP 45 2HB ASP 45 9.300 -13.621 0.719 312 H GLY 46 H GLY 46 9.577 -13.522 3.242 313 1HA GLY 46 1HA GLY 46 10.237 -16.244 4.169 314 2HA GLY 46 2HA GLY 46 11.400 -14.944 3.983 315 H ASN 47 H ASN 47 8.261 -14.519 5.522 316 HA ASN 47 HA ASN 47 9.538 -14.630 8.169 317 2HB ASN 47 2HB ASN 47 8.266 -12.540 8.815 318 1HD2 ASN 47 1HD2 ASN 47 9.606 -11.631 5.755 319 2HD2 ASN 47 2HD2 ASN 47 11.114 -11.051 6.362 320 H GLU 48 H GLU 48 8.405 -16.364 8.926 321 HA GLU 48 HA GLU 48 5.809 -17.072 8.247 322 2HB GLU 48 2HB GLU 48 5.827 -18.342 10.470 323 2HG GLU 48 2HG GLU 48 6.604 -19.317 8.299 324 H HIS 49 H HIS 49 6.910 -14.890 10.784 325 HA HIS 49 HA HIS 49 4.533 -14.624 12.221 326 2HB HIS 49 2HB HIS 49 6.555 -12.453 11.606 327 HD1 HIS 49 1HD HIS 49 6.113 -10.272 12.697 328 HD2 HIS 49 2HD HIS 49 3.866 -13.343 14.386 329 HE1 HIS 49 1HE HIS 49 4.625 -9.171 14.407 330 H LEU 50 H LEU 50 5.639 -12.907 9.319 331 HA LEU 50 HA LEU 50 3.172 -11.452 9.057 332 2HB LEU 50 2HB LEU 50 4.105 -10.714 6.899 333 HG LEU 50 HG LEU 50 6.259 -10.566 9.017 334 1HD1 LEU 50 1HD1 LEU 50 6.913 -8.531 7.868 335 2HD1 LEU 50 2HD1 LEU 50 5.631 -8.768 6.682 336 3HD1 LEU 50 3HD1 LEU 50 6.974 -9.907 6.769 337 1HD2 LEU 50 1HD2 LEU 50 4.123 -9.800 9.918 338 2HD2 LEU 50 2HD2 LEU 50 3.900 -8.749 8.520 339 3HD2 LEU 50 3HD2 LEU 50 5.215 -8.438 9.651 340 H THR 51 H THR 51 4.661 -14.297 7.595 341 HA THR 51 HA THR 51 2.893 -14.775 5.518 342 HB THR 51 HB THR 51 4.343 -16.813 7.219 343 HG1 THR 51 1HG THR 51 5.898 -16.654 5.503 344 1HG2 THR 51 1HG2 THR 51 4.168 -18.268 5.231 345 2HG2 THR 51 2HG2 THR 51 3.146 -17.057 4.456 346 3HG2 THR 51 3HG2 THR 51 2.587 -17.880 5.913 347 H ARG 52 H ARG 52 2.726 -16.127 8.833 348 HA ARG 52 HA ARG 52 0.341 -17.543 8.420 349 2HB ARG 52 2HB ARG 52 0.116 -17.427 10.944 350 2HG ARG 52 2HG ARG 52 2.858 -18.226 10.008 351 2HD ARG 52 2HD ARG 52 1.058 -19.207 12.217 352 HE ARG 52 HE ARG 52 3.578 -20.438 11.279 353 1HH1 ARG 52 1HH1 ARG 52 0.489 -20.635 12.902 354 2HH1 ARG 52 2HH1 ARG 52 0.521 -22.371 13.036 355 1HH2 ARG 52 1HH2 ARG 52 3.665 -22.692 11.493 356 2HH2 ARG 52 2HH2 ARG 52 2.345 -23.542 12.244 357 H LEU 53 H LEU 53 0.913 -14.199 9.157 358 HA LEU 53 HA LEU 53 -1.812 -13.592 9.792 359 2HB LEU 53 2HB LEU 53 -0.958 -11.198 9.388 360 HG LEU 53 HG LEU 53 0.365 -12.892 11.506 361 1HD1 LEU 53 1HD1 LEU 53 1.676 -10.865 11.081 362 2HD1 LEU 53 2HD1 LEU 53 0.860 -10.789 12.643 363 3HD1 LEU 53 3HD1 LEU 53 0.223 -9.885 11.270 364 1HD2 LEU 53 1HD2 LEU 53 -1.327 -11.886 12.959 365 2HD2 LEU 53 2HD2 LEU 53 -2.067 -12.798 11.642 366 3HD2 LEU 53 3HD2 LEU 53 -2.008 -11.036 11.571 367 H TYR 54 H TYR 54 0.254 -13.043 6.902 368 HA TYR 54 HA TYR 54 -2.173 -12.023 5.572 369 2HB TYR 54 2HB TYR 54 -0.758 -10.508 4.314 370 HD1 TYR 54 1HD TYR 54 -2.490 -9.446 5.963 371 HD2 TYR 54 2HD TYR 54 1.581 -10.200 6.938 372 HE1 TYR 54 1HE TYR 54 -2.613 -7.770 7.762 373 HE2 TYR 54 2HE TYR 54 1.472 -8.528 8.733 374 HH TYR 54 HH TYR 54 -1.539 -7.072 9.717 375 H ASN 55 H ASN 55 -0.199 -14.720 5.363 376 HA ASN 55 HA ASN 55 0.513 -14.767 2.644 377 2HB ASN 55 2HB ASN 55 -0.289 -17.207 4.231 378 1HD2 ASN 55 1HD2 ASN 55 0.443 -19.117 3.401 379 2HD2 ASN 55 2HD2 ASN 55 1.142 -19.263 1.824 380 H ASP 56 H ASP 56 -2.460 -15.739 4.235 381 HA ASP 56 HA ASP 56 -3.710 -16.595 1.773 382 2HB ASP 56 2HB ASP 56 -4.611 -16.393 4.646 383 H ARG 57 H ARG 57 -3.150 -13.624 3.248 384 HA ARG 57 HA ARG 57 -5.467 -12.386 1.995 385 2HB ARG 57 2HB ARG 57 -4.818 -12.061 4.932 386 2HG ARG 57 2HG ARG 57 -7.183 -11.177 3.304 387 2HD ARG 57 2HD ARG 57 -8.112 -10.375 5.431 388 HE ARG 57 HE ARG 57 -7.671 -13.285 5.288 389 1HH1 ARG 57 1HH1 ARG 57 -9.695 -10.533 6.018 390 2HH1 ARG 57 2HH1 ARG 57 -11.152 -11.477 6.159 391 1HH2 ARG 57 1HH2 ARG 57 -9.571 -14.545 5.496 392 2HH2 ARG 57 2HH2 ARG 57 -11.075 -13.763 5.878 393 H VAL 58 H VAL 58 -3.099 -12.007 0.915 394 HA VAL 58 HA VAL 58 -1.520 -10.148 2.373 395 HB VAL 58 HB VAL 58 -0.529 -10.303 -0.262 396 1HG1 VAL 58 1HG1 VAL 58 0.333 -11.620 2.294 397 2HG1 VAL 58 2HG1 VAL 58 0.770 -10.001 1.751 398 3HG1 VAL 58 3HG1 VAL 58 1.338 -11.414 0.861 399 1HG2 VAL 58 1HG2 VAL 58 -1.861 -12.299 -0.648 400 2HG2 VAL 58 2HG2 VAL 58 -1.267 -13.014 0.852 401 3HG2 VAL 58 3HG2 VAL 58 -0.158 -12.733 -0.491 402 HA PRO 59 HA PRO 59 -0.867 -7.441 -1.156 403 2HB PRO 59 2HB PRO 59 -1.924 -7.138 -3.147 404 2HG PRO 59 2HG PRO 59 -2.475 -9.264 -3.665 405 2HD PRO 59 2HD PRO 59 -1.383 -10.229 -1.902 406 H VAL 60 H VAL 60 -0.844 -6.604 1.046 407 HA VAL 60 HA VAL 60 -3.264 -5.165 1.854 408 HB VAL 60 HB VAL 60 -1.681 -5.122 4.085 409 1HG1 VAL 60 1HG1 VAL 60 -3.115 -6.828 4.977 410 2HG1 VAL 60 2HG1 VAL 60 -3.530 -7.391 3.356 411 3HG1 VAL 60 3HG1 VAL 60 -4.064 -5.798 3.909 412 1HG2 VAL 60 1HG2 VAL 60 -1.206 -7.789 2.756 413 2HG2 VAL 60 2HG2 VAL 60 -0.748 -7.346 4.400 414 3HG2 VAL 60 3HG2 VAL 60 0.019 -6.547 3.028 415 H LEU 61 H LEU 61 -3.290 -3.087 1.511 416 HA LEU 61 HA LEU 61 -0.810 -1.598 1.273 417 2HB LEU 61 2HB LEU 61 -3.638 -0.595 0.959 418 HG LEU 61 HG LEU 61 -2.510 0.904 -0.794 419 1HD1 LEU 61 1HD1 LEU 61 -2.022 1.361 2.142 420 2HD1 LEU 61 2HD1 LEU 61 -3.465 1.799 1.229 421 3HD1 LEU 61 3HD1 LEU 61 -1.932 2.599 0.892 422 1HD2 LEU 61 1HD2 LEU 61 -0.343 -0.251 -0.807 423 2HD2 LEU 61 2HD2 LEU 61 -0.088 0.223 0.874 424 3HD2 LEU 61 3HD2 LEU 61 -0.176 1.453 -0.387 425 H PHE 62 H PHE 62 0.079 -0.895 3.033 426 HA PHE 62 HA PHE 62 -1.470 -0.445 5.456 427 2HB PHE 62 2HB PHE 62 1.505 -0.594 4.917 428 HD1 PHE 62 1HD PHE 62 -0.586 -1.423 7.868 429 HD2 PHE 62 2HD PHE 62 2.566 0.954 6.285 430 HE1 PHE 62 1HE PHE 62 -0.067 -0.609 10.133 431 HE2 PHE 62 2HE PHE 62 3.090 1.774 8.542 432 HZ PHE 62 HZ PHE 62 1.772 0.993 10.470 433 H ALA 63 H ALA 63 -1.966 1.480 6.179 434 HA ALA 63 HA ALA 63 -1.161 3.852 4.742 435 1HB ALA 63 1HB ALA 63 -2.745 5.000 6.225 436 2HB ALA 63 2HB ALA 63 -2.965 3.508 7.144 437 3HB ALA 63 3HB ALA 63 -3.477 3.591 5.458 438 H VAL 64 H VAL 64 0.978 4.264 5.175 439 HA VAL 64 HA VAL 64 2.009 4.325 7.866 440 HB VAL 64 HB VAL 64 3.270 5.453 5.356 441 1HG1 VAL 64 1HG1 VAL 64 4.278 6.324 7.384 442 2HG1 VAL 64 2HG1 VAL 64 5.384 5.206 6.590 443 3HG1 VAL 64 3HG1 VAL 64 4.479 4.689 8.012 444 1HG2 VAL 64 1HG2 VAL 64 2.804 3.094 5.048 445 2HG2 VAL 64 2HG2 VAL 64 3.579 2.720 6.587 446 3HG2 VAL 64 3HG2 VAL 64 4.536 3.353 5.249 447 H ASN 65 H ASN 65 0.845 5.746 9.013 448 HA ASN 65 HA ASN 65 1.315 8.452 9.107 449 2HB ASN 65 2HB ASN 65 -1.265 7.874 7.617 450 1HD2 ASN 65 1HD2 ASN 65 0.821 10.568 7.109 451 2HD2 ASN 65 2HD2 ASN 65 -0.208 11.777 7.789 452 H GLU 66 H GLU 66 -1.284 6.082 9.199 453 HA GLU 66 HA GLU 66 -1.933 6.933 11.940 454 2HB GLU 66 2HB GLU 66 -3.975 5.722 10.105 455 2HG GLU 66 2HG GLU 66 -4.050 7.459 12.529 456 H ASP 67 H ASP 67 -0.688 4.582 10.040 457 HA ASP 67 HA ASP 67 -0.066 2.438 10.309 458 2HB ASP 67 2HB ASP 67 -0.022 1.612 12.756 459 H LYS 68 H LYS 68 -1.876 1.804 9.062 460 HA LYS 68 HA LYS 68 -3.315 -0.341 10.176 461 2HB LYS 68 2HB LYS 68 -4.738 1.304 11.194 462 2HG LYS 68 2HG LYS 68 -4.944 2.545 8.459 463 2HD LYS 68 2HD LYS 68 -6.606 2.940 10.935 464 2HE LYS 68 2HE LYS 68 -6.570 4.607 8.424 465 1HZ LYS 68 1HZ LYS 68 -8.181 4.813 10.911 466 2HZ LYS 68 2HZ LYS 68 -8.759 4.408 9.370 467 3HZ LYS 68 3HZ LYS 68 -8.157 5.964 9.668 468 H GLU 69 H GLU 69 -5.211 -0.917 8.513 469 HA GLU 69 HA GLU 69 -3.971 -0.863 5.865 470 2HB GLU 69 2HB GLU 69 -5.599 -2.639 5.335 471 2HG GLU 69 2HG GLU 69 -4.025 -3.024 7.856 472 H LEU 70 H LEU 70 -4.902 0.103 4.090 473 HA LEU 70 HA LEU 70 -7.432 1.530 4.484 474 2HB LEU 70 2HB LEU 70 -6.993 2.475 2.221 475 HG LEU 70 HG LEU 70 -4.597 2.889 4.003 476 1HD1 LEU 70 1HD1 LEU 70 -4.303 3.756 1.768 477 2HD1 LEU 70 2HD1 LEU 70 -4.554 5.092 2.893 478 3HD1 LEU 70 3HD1 LEU 70 -5.869 4.563 1.837 479 1HD2 LEU 70 1HD2 LEU 70 -5.828 4.733 4.986 480 2HD2 LEU 70 2HD2 LEU 70 -6.710 3.226 5.230 481 3HD2 LEU 70 3HD2 LEU 70 -7.233 4.363 3.987 482 H CYS 71 H CYS 71 -5.930 -0.686 2.168 483 HA CYS 71 HA CYS 71 -8.361 -2.198 1.909 484 2HB CYS 71 2HB CYS 71 -7.233 -0.755 -0.506 485 HG CYS 71 HG CYS 71 -10.234 -1.815 -1.102 486 H HIS 72 H HIS 72 -7.997 -4.174 0.707 487 HA HIS 72 HA HIS 72 -5.263 -4.757 -0.038 488 2HB HIS 72 2HB HIS 72 -5.159 -5.365 2.279 489 HD1 HIS 72 1HD HIS 72 -6.242 -8.443 2.891 490 HD2 HIS 72 2HD HIS 72 -8.373 -4.887 2.658 491 HE1 HIS 72 1HE HIS 72 -8.330 -8.819 4.238 492 H TYR 73 H TYR 73 -5.083 -6.956 -1.013 493 HA TYR 73 HA TYR 73 -5.687 -8.480 -2.594 494 2HB TYR 73 2HB TYR 73 -8.182 -8.830 -3.086 495 HD1 TYR 73 1HD TYR 73 -6.956 -10.992 -2.689 496 HD2 TYR 73 2HD TYR 73 -8.404 -8.564 0.493 497 HE1 TYR 73 1HE TYR 73 -6.835 -12.920 -1.168 498 HE2 TYR 73 2HE TYR 73 -8.283 -10.485 2.021 499 HH TYR 73 HH TYR 73 -6.674 -13.389 1.218 500 H PHE 74 H PHE 74 -7.791 -5.633 -2.746 501 HA PHE 74 HA PHE 74 -7.068 -5.302 -5.557 502 2HB PHE 74 2HB PHE 74 -9.517 -4.513 -5.835 503 HD1 PHE 74 1HD PHE 74 -9.950 -7.713 -4.192 504 HD2 PHE 74 2HD PHE 74 -8.875 -5.801 -7.839 505 HE1 PHE 74 1HE PHE 74 -10.283 -9.832 -5.400 506 HE2 PHE 74 2HE PHE 74 -9.200 -7.918 -9.049 507 HZ PHE 74 HZ PHE 74 -9.905 -9.935 -7.830 508 H LEU 75 H LEU 75 -8.710 -2.947 -5.832 509 HA LEU 75 HA LEU 75 -7.366 -1.210 -3.884 510 2HB LEU 75 2HB LEU 75 -7.578 -0.614 -6.820 511 HG LEU 75 HG LEU 75 -7.173 1.277 -5.137 512 1HD1 LEU 75 1HD1 LEU 75 -5.617 -0.033 -3.727 513 2HD1 LEU 75 2HD1 LEU 75 -4.945 1.504 -4.278 514 3HD1 LEU 75 3HD1 LEU 75 -4.449 -0.001 -5.052 515 1HD2 LEU 75 1HD2 LEU 75 -5.520 2.322 -6.594 516 2HD2 LEU 75 2HD2 LEU 75 -6.760 1.483 -7.525 517 3HD2 LEU 75 3HD2 LEU 75 -5.168 0.754 -7.321 518 H ASP 76 H ASP 76 -8.961 -0.287 -2.765 519 HA ASP 76 HA ASP 76 -11.316 0.747 -4.105 520 2HB ASP 76 2HB ASP 76 -11.699 1.810 -1.771 521 H SER 77 H SER 77 -10.377 2.148 -5.580 522 HA SER 77 HA SER 77 -8.441 4.073 -5.046 523 2HB SER 77 2HB SER 77 -9.089 5.060 -7.165 524 HG SER 77 HG SER 77 -8.273 3.315 -7.991 525 H ASP 78 H ASP 78 -11.868 4.099 -4.456 526 HA ASP 78 HA ASP 78 -12.136 6.919 -4.144 527 2HB ASP 78 2HB ASP 78 -13.878 4.672 -3.105 528 H VAL 79 H VAL 79 -11.459 4.238 -1.970 529 HA VAL 79 HA VAL 79 -11.699 5.757 0.427 530 HB VAL 79 HB VAL 79 -10.464 3.069 -0.159 531 1HG1 VAL 79 1HG1 VAL 79 -10.653 4.443 2.526 532 2HG1 VAL 79 2HG1 VAL 79 -9.164 4.063 1.660 533 3HG1 VAL 79 3HG1 VAL 79 -10.190 2.762 2.264 534 1HG2 VAL 79 1HG2 VAL 79 -12.901 3.975 1.362 535 2HG2 VAL 79 2HG2 VAL 79 -12.351 2.302 1.242 536 3HG2 VAL 79 3HG2 VAL 79 -12.878 3.164 -0.203 537 H ILE 80 H ILE 80 -8.889 4.699 -1.508 538 HA ILE 80 HA ILE 80 -7.025 6.076 0.143 539 HB ILE 80 HB ILE 80 -6.243 4.281 -1.299 540 2HG1 ILE 80 2HG1 ILE 80 -5.121 7.005 -1.939 541 1HG2 ILE 80 1HG2 ILE 80 -6.098 4.504 -3.689 542 2HG2 ILE 80 2HG2 ILE 80 -6.860 6.094 -3.606 543 3HG2 ILE 80 3HG2 ILE 80 -7.776 4.651 -3.165 544 1HD1 ILE 80 1HD1 ILE 80 -4.935 6.377 0.391 545 2HD1 ILE 80 2HD1 ILE 80 -3.360 6.389 -0.397 546 3HD1 ILE 80 3HD1 ILE 80 -4.170 4.856 -0.072 547 H GLY 81 H GLY 81 -9.043 7.003 -2.550 548 1HA GLY 81 1HA GLY 81 -7.858 9.491 -3.154 549 2HA GLY 81 2HA GLY 81 -9.548 9.071 -3.414 550 H ALA 82 H ALA 82 -10.023 8.456 -0.618 551 HA ALA 82 HA ALA 82 -10.649 11.067 0.359 552 1HB ALA 82 1HB ALA 82 -10.820 8.367 1.710 553 2HB ALA 82 2HB ALA 82 -12.111 9.173 0.816 554 3HB ALA 82 3HB ALA 82 -11.519 9.866 2.328 555 H TYR 83 H TYR 83 -8.137 8.705 0.957 556 HA TYR 83 HA TYR 83 -7.045 10.101 3.227 557 2HB TYR 83 2HB TYR 83 -6.147 7.726 1.597 558 HD1 TYR 83 1HD TYR 83 -5.268 8.499 5.097 559 HD2 TYR 83 2HD TYR 83 -3.842 8.157 1.103 560 HE1 TYR 83 1HE TYR 83 -2.951 8.566 5.922 561 HE2 TYR 83 2HE TYR 83 -1.525 8.226 1.916 562 HH TYR 83 HH TYR 83 -0.681 7.796 5.123 563 H LEU 84 H LEU 84 -6.030 9.532 -0.111 564 HA LEU 84 HA LEU 84 -3.664 11.052 0.045 565 2HB LEU 84 2HB LEU 84 -4.140 11.102 -2.578 566 HG LEU 84 HG LEU 84 -3.534 8.519 -1.155 567 1HD1 LEU 84 1HD1 LEU 84 -4.124 8.175 -3.473 568 2HD1 LEU 84 2HD1 LEU 84 -2.400 7.911 -3.227 569 3HD1 LEU 84 3HD1 LEU 84 -2.964 9.407 -3.969 570 1HD2 LEU 84 1HD2 LEU 84 -2.048 10.321 -0.453 571 2HD2 LEU 84 2HD2 LEU 84 -1.668 10.661 -2.142 572 3HD2 LEU 84 3HD2 LEU 84 -1.198 9.118 -1.426 573 H SER 85 H SER 85 -6.891 11.865 -1.182 574 HA SER 85 HA SER 85 -7.745 13.778 -2.063 575 2HB SER 85 2HB SER 85 -7.544 15.726 -0.571 576 HG SER 85 HG SER 85 -7.631 13.532 1.163 Start of MODEL 15 1 HA MET 1 HA MET 1 1.051 27.860 -2.473 2 2HB MET 1 2HB MET 1 -0.094 30.245 -1.002 3 2HG MET 1 2HG MET 1 1.969 28.266 -0.054 4 1HE MET 1 1HE MET 1 -0.839 30.107 1.948 5 2HE MET 1 2HE MET 1 -0.422 31.305 0.724 6 3HE MET 1 3HE MET 1 -0.037 31.606 2.420 7 H ASN 2 H ASN 2 0.071 26.058 -1.902 8 HA ASN 2 HA ASN 2 -2.741 25.985 -1.231 9 2HB ASN 2 2HB ASN 2 -0.572 23.869 -1.147 10 1HD2 ASN 2 1HD2 ASN 2 -3.804 23.268 -2.151 11 2HD2 ASN 2 2HD2 ASN 2 -4.265 22.282 -0.804 12 H ASN 3 H ASN 3 0.284 25.215 0.422 13 HA ASN 3 HA ASN 3 -0.095 26.700 2.729 14 2HB ASN 3 2HB ASN 3 -0.884 23.791 3.120 15 1HD2 ASN 3 1HD2 ASN 3 -1.310 23.165 5.234 16 2HD2 ASN 3 2HD2 ASN 3 -0.692 24.032 6.600 17 H GLN 4 H GLN 4 0.730 23.321 2.902 18 HA GLN 4 HA GLN 4 3.136 23.109 1.695 19 2HB GLN 4 2HB GLN 4 3.666 23.765 4.603 20 2HG GLN 4 2HG GLN 4 5.571 23.357 2.305 21 1HE2 GLN 4 1HE2 GLN 4 6.022 22.434 5.596 22 2HE2 GLN 4 2HE2 GLN 4 7.284 23.560 5.966 23 H VAL 5 H VAL 5 1.867 21.165 1.492 24 HA VAL 5 HA VAL 5 1.907 19.423 3.833 25 HB VAL 5 HB VAL 5 0.570 17.870 2.578 26 1HG1 VAL 5 1HG1 VAL 5 -0.594 19.729 3.652 27 2HG1 VAL 5 2HG1 VAL 5 -1.433 19.195 2.195 28 3HG1 VAL 5 3HG1 VAL 5 -0.465 20.669 2.165 29 1HG2 VAL 5 1HG2 VAL 5 0.880 19.732 0.232 30 2HG2 VAL 5 2HG2 VAL 5 -0.093 18.259 0.273 31 3HG2 VAL 5 3HG2 VAL 5 1.665 18.163 0.415 32 H GLU 6 H GLU 6 2.618 17.183 3.460 33 HA GLU 6 HA GLU 6 4.899 17.057 1.626 34 2HB GLU 6 2HB GLU 6 6.301 16.145 3.417 35 2HG GLU 6 2HG GLU 6 4.967 18.672 4.351 36 HA PRO 7 HA PRO 7 3.482 13.261 0.281 37 2HB PRO 7 2HB PRO 7 5.454 12.901 -0.833 38 2HG PRO 7 2HG PRO 7 7.517 13.383 0.183 39 2HD PRO 7 2HD PRO 7 6.247 15.347 0.308 40 H ARG 8 H ARG 8 2.790 11.158 0.750 41 HA ARG 8 HA ARG 8 2.931 10.437 3.593 42 2HB ARG 8 2HB ARG 8 1.025 8.969 3.112 43 2HG ARG 8 2HG ARG 8 -0.682 10.572 2.321 44 2HD ARG 8 2HD ARG 8 0.235 10.559 4.693 45 HE ARG 8 HE ARG 8 2.280 12.048 3.833 46 1HH1 ARG 8 1HH1 ARG 8 -0.435 12.836 5.888 47 2HH1 ARG 8 2HH1 ARG 8 0.423 14.067 6.766 48 1HH2 ARG 8 1HH2 ARG 8 3.422 13.651 4.990 49 2HH2 ARG 8 2HH2 ARG 8 2.622 14.522 6.258 50 H LYS 9 H LYS 9 2.434 7.659 3.337 51 HA LYS 9 HA LYS 9 4.475 6.623 1.550 52 2HB LYS 9 2HB LYS 9 4.774 5.686 4.336 53 2HG LYS 9 2HG LYS 9 7.211 5.984 3.715 54 2HD LYS 9 2HD LYS 9 5.456 4.089 2.160 55 2HE LYS 9 2HE LYS 9 7.515 4.167 0.993 56 1HZ LYS 9 1HZ LYS 9 8.844 4.018 3.643 57 2HZ LYS 9 2HZ LYS 9 8.909 5.311 2.539 58 3HZ LYS 9 3HZ LYS 9 9.645 3.827 2.161 59 H LEU 10 H LEU 10 3.855 4.742 0.722 60 HA LEU 10 HA LEU 10 1.769 3.216 2.133 61 2HB LEU 10 2HB LEU 10 1.165 2.364 -0.164 62 HG LEU 10 HG LEU 10 0.888 5.353 -0.052 63 1HD1 LEU 10 1HD1 LEU 10 0.169 4.268 -2.112 64 2HD1 LEU 10 2HD1 LEU 10 -1.210 4.898 -1.213 65 3HD1 LEU 10 3HD1 LEU 10 -0.855 3.171 -1.186 66 1HD2 LEU 10 1HD2 LEU 10 -1.134 5.011 1.272 67 2HD2 LEU 10 2HD2 LEU 10 0.292 4.439 2.137 68 3HD2 LEU 10 3HD2 LEU 10 -0.791 3.283 1.361 69 H VAL 11 H VAL 11 2.038 1.092 2.458 70 HA VAL 11 HA VAL 11 4.374 -0.236 1.235 71 HB VAL 11 HB VAL 11 3.316 -0.498 4.057 72 1HG1 VAL 11 1HG1 VAL 11 5.262 -2.310 2.629 73 2HG1 VAL 11 2HG1 VAL 11 3.650 -2.749 3.198 74 3HG1 VAL 11 3HG1 VAL 11 4.917 -2.348 4.359 75 1HG2 VAL 11 1HG2 VAL 11 4.997 1.263 3.595 76 2HG2 VAL 11 2HG2 VAL 11 6.108 0.006 3.047 77 3HG2 VAL 11 3HG2 VAL 11 5.560 0.027 4.719 78 H VAL 12 H VAL 12 3.940 -2.140 0.217 79 HA VAL 12 HA VAL 12 1.282 -3.326 0.666 80 HB VAL 12 HB VAL 12 3.178 -3.659 -1.663 81 1HG1 VAL 12 1HG1 VAL 12 0.488 -4.934 -1.197 82 2HG1 VAL 12 2HG1 VAL 12 2.045 -5.761 -1.199 83 3HG1 VAL 12 3HG1 VAL 12 1.430 -5.039 -2.686 84 1HG2 VAL 12 1HG2 VAL 12 0.462 -2.378 -1.492 85 2HG2 VAL 12 2HG2 VAL 12 1.398 -2.604 -2.970 86 3HG2 VAL 12 3HG2 VAL 12 2.000 -1.542 -1.697 87 H TYR 13 H TYR 13 1.239 -5.079 1.925 88 HA TYR 13 HA TYR 13 3.686 -6.515 2.535 89 2HB TYR 13 2HB TYR 13 2.186 -7.900 3.994 90 HD1 TYR 13 1HD TYR 13 4.262 -6.238 4.758 91 HD2 TYR 13 2HD TYR 13 0.091 -5.410 4.996 92 HE1 TYR 13 1HE TYR 13 4.688 -4.651 6.587 93 HE2 TYR 13 2HE TYR 13 0.511 -3.817 6.825 94 HH TYR 13 HH TYR 13 2.231 -3.430 8.562 95 H GLY 14 H GLY 14 4.336 -7.732 0.813 96 1HA GLY 14 1HA GLY 14 2.333 -9.597 -0.280 97 2HA GLY 14 2HA GLY 14 3.381 -8.674 -1.344 98 H ARG 15 H ARG 15 3.636 -11.079 -1.943 99 HA ARG 15 HA ARG 15 6.246 -11.837 -1.028 100 2HB ARG 15 2HB ARG 15 4.858 -12.931 0.677 101 2HG ARG 15 2HG ARG 15 3.504 -14.241 -1.664 102 2HD ARG 15 2HD ARG 15 2.483 -15.787 -0.201 103 HE ARG 15 HE ARG 15 4.989 -16.263 1.026 104 1HH1 ARG 15 1HH1 ARG 15 3.474 -16.124 -2.142 105 2HH1 ARG 15 2HH1 ARG 15 4.689 -17.108 -2.897 106 1HH2 ARG 15 1HH2 ARG 15 6.581 -17.554 0.014 107 2HH2 ARG 15 2HH2 ARG 15 6.421 -17.927 -1.682 108 H GLU 16 H GLU 16 7.340 -12.517 -2.736 109 HA GLU 16 HA GLU 16 7.865 -13.129 -4.850 110 2HB GLU 16 2HB GLU 16 6.792 -15.161 -5.701 111 2HG GLU 16 2HG GLU 16 7.009 -15.461 -2.725 112 H GLY 17 H GLY 17 6.014 -14.128 -6.900 113 1HA GLY 17 1HA GLY 17 5.012 -11.494 -7.712 114 2HA GLY 17 2HA GLY 17 5.399 -12.819 -8.796 115 H CYS 18 H CYS 18 2.972 -11.138 -8.424 116 HA CYS 18 HA CYS 18 1.081 -13.289 -8.747 117 2HB CYS 18 2HB CYS 18 0.661 -11.231 -6.560 118 HG CYS 18 HG CYS 18 -1.467 -13.517 -7.904 119 H HIS 19 H HIS 19 -0.706 -12.657 -9.972 120 HA HIS 19 HA HIS 19 -0.215 -10.562 -11.778 121 2HB HIS 19 2HB HIS 19 -2.681 -10.978 -12.429 122 HD1 HIS 19 1HD HIS 19 -3.084 -12.825 -14.256 123 HD2 HIS 19 2HD HIS 19 0.605 -13.016 -12.336 124 HE1 HIS 19 1HE HIS 19 -1.656 -14.346 -15.667 125 H LEU 20 H LEU 20 -2.544 -10.773 -9.107 126 HA LEU 20 HA LEU 20 -3.791 -8.303 -9.661 127 2HB LEU 20 2HB LEU 20 -3.768 -9.274 -6.865 128 HG LEU 20 HG LEU 20 -6.248 -9.252 -7.147 129 1HD1 LEU 20 1HD1 LEU 20 -4.828 -6.678 -7.807 130 2HD1 LEU 20 2HD1 LEU 20 -5.123 -7.325 -6.193 131 3HD1 LEU 20 3HD1 LEU 20 -6.479 -6.815 -7.201 132 1HD2 LEU 20 1HD2 LEU 20 -7.180 -8.142 -9.115 133 2HD2 LEU 20 2HD2 LEU 20 -6.343 -9.633 -9.545 134 3HD2 LEU 20 3HD2 LEU 20 -5.573 -8.071 -9.839 135 H CYS 21 H CYS 21 -1.036 -9.191 -7.663 136 HA CYS 21 HA CYS 21 -0.747 -6.731 -6.314 137 2HB CYS 21 2HB CYS 21 1.567 -7.479 -5.877 138 HG CYS 21 HG CYS 21 0.409 -8.621 -3.857 139 H GLU 22 H GLU 22 0.541 -7.942 -9.377 140 HA GLU 22 HA GLU 22 2.146 -5.727 -10.027 141 2HB GLU 22 2HB GLU 22 1.912 -6.511 -12.368 142 2HG GLU 22 2HG GLU 22 2.682 -8.839 -12.096 143 H GLU 23 H GLU 23 -1.265 -6.426 -10.583 144 HA GLU 23 HA GLU 23 -1.846 -4.153 -12.142 145 2HB GLU 23 2HB GLU 23 -4.196 -4.604 -11.600 146 2HG GLU 23 2HG GLU 23 -2.779 -7.234 -11.916 147 H MET 24 H MET 24 -1.822 -4.697 -8.657 148 HA MET 24 HA MET 24 -2.913 -2.174 -7.961 149 2HB MET 24 2HB MET 24 -1.852 -2.558 -5.729 150 2HG MET 24 2HG MET 24 -3.260 -5.017 -6.722 151 1HE MET 24 1HE MET 24 -4.187 -2.542 -3.807 152 2HE MET 24 2HE MET 24 -2.425 -2.481 -3.829 153 3HE MET 24 3HE MET 24 -3.262 -3.217 -2.462 154 H ILE 25 H ILE 25 0.435 -3.324 -8.324 155 HA ILE 25 HA ILE 25 1.746 -0.973 -7.594 156 HB ILE 25 HB ILE 25 2.569 -3.026 -9.656 157 2HG1 ILE 25 2HG1 ILE 25 2.302 -3.845 -7.331 158 1HG2 ILE 25 1HG2 ILE 25 3.723 -0.948 -10.116 159 2HG2 ILE 25 2HG2 ILE 25 4.852 -2.097 -9.393 160 3HG2 ILE 25 3HG2 ILE 25 4.178 -0.789 -8.418 161 1HD1 ILE 25 1HD1 ILE 25 4.497 -4.798 -6.982 162 2HD1 ILE 25 2HD1 ILE 25 5.200 -3.634 -8.107 163 3HD1 ILE 25 3HD1 ILE 25 4.068 -4.852 -8.692 164 H ALA 26 H ALA 26 0.601 -1.993 -10.802 165 HA ALA 26 HA ALA 26 1.428 0.252 -12.236 166 1HB ALA 26 1HB ALA 26 -1.028 -1.425 -12.724 167 2HB ALA 26 2HB ALA 26 0.604 -1.823 -13.258 168 3HB ALA 26 3HB ALA 26 -0.210 -0.396 -13.900 169 H SER 27 H SER 27 -1.574 -0.371 -10.473 170 HA SER 27 HA SER 27 -2.853 2.068 -11.064 171 2HB SER 27 2HB SER 27 -4.274 1.521 -9.091 172 HG SER 27 HG SER 27 -3.782 -0.888 -10.480 173 H LEU 28 H LEU 28 -0.756 1.068 -8.394 174 HA LEU 28 HA LEU 28 -0.896 3.398 -6.855 175 2HB LEU 28 2HB LEU 28 1.331 2.706 -5.982 176 HG LEU 28 HG LEU 28 -0.622 0.421 -6.245 177 1HD1 LEU 28 1HD1 LEU 28 1.565 -0.418 -5.658 178 2HD1 LEU 28 2HD1 LEU 28 0.492 -0.491 -4.258 179 3HD1 LEU 28 3HD1 LEU 28 1.709 0.782 -4.374 180 1HD2 LEU 28 1HD2 LEU 28 -1.341 1.096 -4.006 181 2HD2 LEU 28 2HD2 LEU 28 -1.593 2.383 -5.186 182 3HD2 LEU 28 3HD2 LEU 28 -0.231 2.466 -4.066 183 H ARG 29 H ARG 29 1.316 2.514 -9.482 184 HA ARG 29 HA ARG 29 2.934 4.786 -9.434 185 2HB ARG 29 2HB ARG 29 3.312 4.279 -11.883 186 2HG ARG 29 2HG ARG 29 4.281 2.031 -11.536 187 2HD ARG 29 2HD ARG 29 5.854 2.669 -9.772 188 HE ARG 29 HE ARG 29 5.645 4.010 -12.065 189 1HH1 ARG 29 1HH1 ARG 29 6.159 5.236 -8.816 190 2HH1 ARG 29 2HH1 ARG 29 7.157 6.561 -9.339 191 1HH2 ARG 29 1HH2 ARG 29 6.928 5.779 -12.745 192 2HH2 ARG 29 2HH2 ARG 29 7.546 6.895 -11.565 193 H VAL 30 H VAL 30 -0.125 4.224 -11.117 194 HA VAL 30 HA VAL 30 -0.184 6.667 -12.528 195 HB VAL 30 HB VAL 30 -2.483 4.915 -11.637 196 1HG1 VAL 30 1HG1 VAL 30 -2.450 7.107 -13.712 197 2HG1 VAL 30 2HG1 VAL 30 -3.223 7.204 -12.129 198 3HG1 VAL 30 3HG1 VAL 30 -3.813 6.054 -13.330 199 1HG2 VAL 30 1HG2 VAL 30 -0.928 3.762 -13.099 200 2HG2 VAL 30 2HG2 VAL 30 -0.989 5.095 -14.252 201 3HG2 VAL 30 3HG2 VAL 30 -2.424 4.109 -13.963 202 H LEU 31 H LEU 31 -1.545 5.733 -9.379 203 HA LEU 31 HA LEU 31 -2.738 8.292 -8.912 204 2HB LEU 31 2HB LEU 31 -2.066 6.622 -6.577 205 HG LEU 31 HG LEU 31 -4.784 7.461 -7.591 206 1HD1 LEU 31 1HD1 LEU 31 -3.861 6.494 -4.891 207 2HD1 LEU 31 2HD1 LEU 31 -4.793 5.558 -6.060 208 3HD1 LEU 31 3HD1 LEU 31 -5.499 6.990 -5.314 209 1HD2 LEU 31 1HD2 LEU 31 -4.689 9.232 -5.900 210 2HD2 LEU 31 2HD2 LEU 31 -3.448 9.442 -7.136 211 3HD2 LEU 31 3HD2 LEU 31 -3.015 8.803 -5.550 212 H GLN 32 H GLN 32 0.335 6.795 -8.208 213 HA GLN 32 HA GLN 32 1.285 8.563 -6.243 214 2HB GLN 32 2HB GLN 32 3.021 7.176 -8.274 215 2HG GLN 32 2HG GLN 32 3.374 7.635 -5.325 216 1HE2 GLN 32 1HE2 GLN 32 5.333 6.913 -4.480 217 2HE2 GLN 32 2HE2 GLN 32 6.235 5.646 -5.227 218 H LYS 33 H LYS 33 1.122 8.787 -9.708 219 HA LYS 33 HA LYS 33 2.801 11.003 -10.136 220 2HB LYS 33 2HB LYS 33 1.405 11.415 -12.132 221 2HG LYS 33 2HG LYS 33 1.872 8.463 -11.834 222 2HD LYS 33 2HD LYS 33 2.358 8.637 -14.227 223 2HE LYS 33 2HE LYS 33 -0.303 9.723 -13.327 224 1HZ LYS 33 1HZ LYS 33 0.005 10.258 -15.658 225 2HZ LYS 33 2HZ LYS 33 -1.141 9.021 -15.480 226 3HZ LYS 33 3HZ LYS 33 0.431 8.648 -16.003 227 H LYS 34 H LYS 34 -0.565 10.706 -9.195 228 HA LYS 34 HA LYS 34 -1.132 13.519 -9.412 229 2HB LYS 34 2HB LYS 34 -3.352 12.940 -8.787 230 2HG LYS 34 2HG LYS 34 -2.237 10.545 -10.233 231 2HD LYS 34 2HD LYS 34 -5.056 11.614 -10.210 232 2HE LYS 34 2HE LYS 34 -3.905 9.045 -11.295 233 1HZ LYS 34 1HZ LYS 34 -6.288 9.044 -10.524 234 2HZ LYS 34 2HZ LYS 34 -6.041 8.623 -12.147 235 3HZ LYS 34 3HZ LYS 34 -6.613 10.171 -11.756 236 H SER 35 H SER 35 -0.473 11.203 -6.869 237 HA SER 35 HA SER 35 0.063 13.378 -5.002 238 2HB SER 35 2HB SER 35 -1.284 12.326 -3.239 239 HG SER 35 HG SER 35 -2.280 13.471 -5.448 240 H TRP 36 H TRP 36 1.947 12.967 -3.958 241 HA TRP 36 HA TRP 36 3.217 10.434 -4.522 242 2HB TRP 36 2HB TRP 36 4.390 12.736 -2.959 243 HD1 TRP 36 HD TRP 36 6.163 11.281 -1.649 244 HE1 TRP 36 1HE TRP 36 8.149 9.822 -2.386 245 HE3 TRP 36 3HE TRP 36 5.139 10.995 -6.644 246 HZ2 TRP 36 2HZ TRP 36 9.144 8.690 -4.775 247 HZ3 TRP 36 3HZ TRP 36 6.656 9.701 -8.089 248 HH2 TRP 36 HH TRP 36 8.615 8.572 -7.166 249 H PHE 37 H PHE 37 3.102 8.775 -3.252 250 HA PHE 37 HA PHE 37 2.975 9.186 -0.346 251 2HB PHE 37 2HB PHE 37 0.766 8.552 -0.797 252 HD1 PHE 37 1HD PHE 37 -0.621 8.538 -2.622 253 HD2 PHE 37 2HD PHE 37 2.614 5.777 -2.503 254 HE1 PHE 37 1HE PHE 37 -1.356 7.584 -4.767 255 HE2 PHE 37 2HE PHE 37 1.891 4.833 -4.648 256 HZ PHE 37 HZ PHE 37 -0.104 5.725 -5.781 257 H GLU 38 H GLU 38 5.144 8.503 -2.302 258 HA GLU 38 HA GLU 38 6.835 7.021 -2.655 259 2HB GLU 38 2HB GLU 38 7.611 5.745 -0.635 260 2HG GLU 38 2HG GLU 38 7.064 8.402 0.471 261 H LEU 39 H LEU 39 7.446 4.539 -2.181 262 HA LEU 39 HA LEU 39 5.121 2.845 -2.084 263 2HB LEU 39 2HB LEU 39 6.902 2.587 -4.497 264 HG LEU 39 HG LEU 39 5.742 0.548 -4.240 265 1HD1 LEU 39 1HD1 LEU 39 3.352 0.410 -3.740 266 2HD1 LEU 39 2HD1 LEU 39 3.275 2.167 -3.616 267 3HD1 LEU 39 3HD1 LEU 39 4.233 1.243 -2.459 268 1HD2 LEU 39 1HD2 LEU 39 4.092 2.321 -6.040 269 2HD2 LEU 39 2HD2 LEU 39 4.084 0.556 -6.062 270 3HD2 LEU 39 3HD2 LEU 39 5.551 1.439 -6.492 271 H GLU 40 H GLU 40 5.557 0.946 -1.157 272 HA GLU 40 HA GLU 40 8.347 0.066 -1.018 273 2HB GLU 40 2HB GLU 40 6.474 0.210 1.347 274 2HG GLU 40 2HG GLU 40 8.024 -1.667 1.518 275 H VAL 41 H VAL 41 8.631 -2.115 -0.946 276 HA VAL 41 HA VAL 41 6.203 -3.786 -1.044 277 HB VAL 41 HB VAL 41 8.679 -4.184 -2.745 278 1HG1 VAL 41 1HG1 VAL 41 7.604 -6.279 -2.050 279 2HG1 VAL 41 2HG1 VAL 41 7.452 -6.004 -3.785 280 3HG1 VAL 41 3HG1 VAL 41 6.075 -5.709 -2.723 281 1HG2 VAL 41 1HG2 VAL 41 5.906 -3.281 -3.521 282 2HG2 VAL 41 2HG2 VAL 41 7.184 -3.713 -4.653 283 3HG2 VAL 41 3HG2 VAL 41 7.386 -2.322 -3.590 284 H ILE 42 H ILE 42 6.254 -4.906 0.788 285 HA ILE 42 HA ILE 42 8.873 -5.764 1.803 286 HB ILE 42 HB ILE 42 6.302 -5.300 3.315 287 2HG1 ILE 42 2HG1 ILE 42 7.463 -3.251 2.625 288 1HG2 ILE 42 1HG2 ILE 42 8.994 -6.219 4.318 289 2HG2 ILE 42 2HG2 ILE 42 7.518 -7.182 4.271 290 3HG2 ILE 42 3HG2 ILE 42 7.621 -5.779 5.335 291 1HD1 ILE 42 1HD1 ILE 42 8.005 -3.778 5.536 292 2HD1 ILE 42 2HD1 ILE 42 6.480 -3.201 4.864 293 3HD1 ILE 42 3HD1 ILE 42 7.927 -2.201 4.748 294 H ASN 43 H ASN 43 9.335 -7.781 1.494 295 HA ASN 43 HA ASN 43 7.369 -9.733 0.759 296 2HB ASN 43 2HB ASN 43 9.348 -11.293 0.769 297 1HD2 ASN 43 1HD2 ASN 43 8.798 -11.455 -1.354 298 2HD2 ASN 43 2HD2 ASN 43 9.341 -10.352 -2.575 299 H ILE 44 H ILE 44 6.033 -10.448 2.276 300 HA ILE 44 HA ILE 44 6.853 -10.712 5.029 301 HB ILE 44 HB ILE 44 4.602 -11.436 5.485 302 2HG1 ILE 44 2HG1 ILE 44 4.381 -12.914 3.475 303 1HG2 ILE 44 1HG2 ILE 44 4.928 -9.054 5.180 304 2HG2 ILE 44 2HG2 ILE 44 3.332 -9.528 4.596 305 3HG2 ILE 44 3HG2 ILE 44 4.634 -9.212 3.449 306 1HD1 ILE 44 1HD1 ILE 44 2.371 -12.418 4.753 307 2HD1 ILE 44 2HD1 ILE 44 2.016 -12.534 3.031 308 3HD1 ILE 44 3HD1 ILE 44 2.115 -10.953 3.806 309 H ASP 45 H ASP 45 7.158 -12.576 2.311 310 HA ASP 45 HA ASP 45 6.575 -15.173 2.898 311 2HB ASP 45 2HB ASP 45 8.934 -14.030 1.407 312 H GLY 46 H GLY 46 9.479 -13.404 3.945 313 1HA GLY 46 1HA GLY 46 10.450 -15.812 5.292 314 2HA GLY 46 2HA GLY 46 11.349 -14.322 5.059 315 H ASN 47 H ASN 47 8.111 -14.063 6.258 316 HA ASN 47 HA ASN 47 9.150 -13.778 9.000 317 2HB ASN 47 2HB ASN 47 7.096 -11.936 7.763 318 1HD2 ASN 47 1HD2 ASN 47 9.686 -11.113 9.919 319 2HD2 ASN 47 2HD2 ASN 47 8.697 -10.766 11.297 320 H GLU 48 H GLU 48 8.119 -15.063 10.358 321 HA GLU 48 HA GLU 48 5.848 -16.570 9.507 322 2HB GLU 48 2HB GLU 48 5.996 -17.593 11.769 323 2HG GLU 48 2HG GLU 48 8.620 -17.318 10.321 324 H HIS 49 H HIS 49 6.211 -13.616 11.272 325 HA HIS 49 HA HIS 49 3.628 -13.746 12.547 326 2HB HIS 49 2HB HIS 49 4.008 -11.240 12.874 327 HD1 HIS 49 1HD HIS 49 7.251 -11.374 13.942 328 HD2 HIS 49 2HD HIS 49 3.868 -13.518 15.072 329 HE1 HIS 49 1HE HIS 49 7.733 -12.238 16.257 330 H LEU 50 H LEU 50 4.992 -11.892 9.847 331 HA LEU 50 HA LEU 50 2.558 -10.652 9.142 332 2HB LEU 50 2HB LEU 50 3.721 -10.050 7.043 333 HG LEU 50 HG LEU 50 5.527 -9.708 9.438 334 1HD1 LEU 50 1HD1 LEU 50 6.342 -7.745 8.268 335 2HD1 LEU 50 2HD1 LEU 50 5.282 -8.098 6.903 336 3HD1 LEU 50 3HD1 LEU 50 6.601 -9.199 7.305 337 1HD2 LEU 50 1HD2 LEU 50 4.384 -7.578 9.776 338 2HD2 LEU 50 2HD2 LEU 50 3.262 -8.931 9.918 339 3HD2 LEU 50 3HD2 LEU 50 3.280 -7.952 8.452 340 H THR 51 H THR 51 4.164 -13.577 7.906 341 HA THR 51 HA THR 51 2.315 -14.128 5.860 342 HB THR 51 HB THR 51 3.857 -16.132 7.528 343 HG1 THR 51 1HG THR 51 5.375 -14.906 6.545 344 1HG2 THR 51 1HG2 THR 51 3.619 -17.606 5.573 345 2HG2 THR 51 2HG2 THR 51 2.604 -16.397 4.787 346 3HG2 THR 51 3HG2 THR 51 2.051 -17.188 6.264 347 H ARG 52 H ARG 52 2.242 -14.882 9.303 348 HA ARG 52 HA ARG 52 -0.016 -16.586 9.223 349 2HB ARG 52 2HB ARG 52 0.115 -15.214 11.728 350 2HG ARG 52 2HG ARG 52 0.935 -17.368 12.579 351 2HD ARG 52 2HD ARG 52 -1.305 -17.544 10.570 352 HE ARG 52 HE ARG 52 -0.272 -19.690 11.884 353 1HH1 ARG 52 1HH1 ARG 52 -3.295 -17.928 12.097 354 2HH1 ARG 52 2HH1 ARG 52 -4.222 -19.323 12.557 355 1HH2 ARG 52 1HH2 ARG 52 -1.507 -21.539 12.478 356 2HH2 ARG 52 2HH2 ARG 52 -3.222 -21.371 12.756 357 H LEU 53 H LEU 53 0.404 -13.152 9.386 358 HA LEU 53 HA LEU 53 -2.362 -12.611 10.007 359 2HB LEU 53 2HB LEU 53 -1.640 -10.226 9.633 360 HG LEU 53 HG LEU 53 -0.111 -11.874 11.635 361 1HD1 LEU 53 1HD1 LEU 53 1.222 -9.908 11.105 362 2HD1 LEU 53 2HD1 LEU 53 0.502 -9.763 12.707 363 3HD1 LEU 53 3HD1 LEU 53 -0.184 -8.873 11.347 364 1HD2 LEU 53 1HD2 LEU 53 -1.649 -10.810 13.204 365 2HD2 LEU 53 2HD2 LEU 53 -2.520 -11.709 11.961 366 3HD2 LEU 53 3HD2 LEU 53 -2.416 -9.949 11.870 367 H TYR 54 H TYR 54 -0.202 -12.070 7.210 368 HA TYR 54 HA TYR 54 -2.566 -11.158 5.704 369 2HB TYR 54 2HB TYR 54 -1.073 -9.769 4.410 370 HD1 TYR 54 1HD TYR 54 -2.546 -8.253 5.746 371 HD2 TYR 54 2HD TYR 54 1.129 -9.738 7.281 372 HE1 TYR 54 1HE TYR 54 -2.567 -6.508 7.480 373 HE2 TYR 54 2HE TYR 54 1.117 -7.998 9.018 374 HH TYR 54 HH TYR 54 -1.624 -6.092 9.698 375 H ASN 55 H ASN 55 -1.267 -14.007 5.902 376 HA ASN 55 HA ASN 55 -0.178 -14.710 3.443 377 2HB ASN 55 2HB ASN 55 -2.133 -16.391 5.026 378 1HD2 ASN 55 1HD2 ASN 55 -2.092 -18.562 4.588 379 2HD2 ASN 55 2HD2 ASN 55 -1.314 -19.230 3.198 380 H ASP 56 H ASP 56 -3.613 -14.557 4.346 381 HA ASP 56 HA ASP 56 -4.462 -15.318 1.707 382 2HB ASP 56 2HB ASP 56 -5.790 -15.871 3.737 383 H ARG 57 H ARG 57 -3.494 -12.385 3.140 384 HA ARG 57 HA ARG 57 -4.748 -10.883 0.961 385 2HB ARG 57 2HB ARG 57 -6.063 -10.168 2.735 386 2HG ARG 57 2HG ARG 57 -3.630 -10.160 4.514 387 2HD ARG 57 2HD ARG 57 -6.492 -9.362 4.989 388 HE ARG 57 HE ARG 57 -5.539 -10.845 6.835 389 1HH1 ARG 57 1HH1 ARG 57 -5.018 -7.381 6.662 390 2HH1 ARG 57 2HH1 ARG 57 -4.864 -7.192 8.378 391 1HH2 ARG 57 1HH2 ARG 57 -5.346 -10.598 9.091 392 2HH2 ARG 57 2HH2 ARG 57 -5.053 -9.020 9.766 393 H VAL 58 H VAL 58 -2.578 -11.430 0.060 394 HA VAL 58 HA VAL 58 -0.464 -9.725 1.064 395 HB VAL 58 HB VAL 58 0.805 -10.651 -1.001 396 1HG1 VAL 58 1HG1 VAL 58 0.084 -12.365 1.373 397 2HG1 VAL 58 2HG1 VAL 58 1.367 -11.159 1.294 398 3HG1 VAL 58 3HG1 VAL 58 1.472 -12.621 0.314 399 1HG2 VAL 58 1HG2 VAL 58 -1.026 -11.704 -2.155 400 2HG2 VAL 58 2HG2 VAL 58 -1.425 -12.661 -0.728 401 3HG2 VAL 58 3HG2 VAL 58 0.087 -12.952 -1.587 402 HA PRO 59 HA PRO 59 -1.484 -7.188 -2.617 403 2HB PRO 59 2HB PRO 59 -3.033 -7.556 -4.260 404 2HG PRO 59 2HG PRO 59 -2.837 -9.830 -4.043 405 2HD PRO 59 2HD PRO 59 -2.688 -10.836 -1.957 406 H VAL 60 H VAL 60 -1.465 -6.952 0.042 407 HA VAL 60 HA VAL 60 -3.818 -5.399 0.847 408 HB VAL 60 HB VAL 60 -2.298 -7.412 2.147 409 1HG1 VAL 60 1HG1 VAL 60 -0.836 -5.609 2.987 410 2HG1 VAL 60 2HG1 VAL 60 -1.713 -6.467 4.255 411 3HG1 VAL 60 3HG1 VAL 60 -2.248 -4.862 3.743 412 1HG2 VAL 60 1HG2 VAL 60 -3.996 -7.126 3.906 413 2HG2 VAL 60 2HG2 VAL 60 -4.664 -7.260 2.280 414 3HG2 VAL 60 3HG2 VAL 60 -4.569 -5.684 3.070 415 H LEU 61 H LEU 61 -3.673 -3.293 1.326 416 HA LEU 61 HA LEU 61 -1.057 -2.050 0.830 417 2HB LEU 61 2HB LEU 61 -3.753 -0.755 0.471 418 HG LEU 61 HG LEU 61 -2.461 0.496 -1.370 419 1HD1 LEU 61 1HD1 LEU 61 -1.709 2.202 0.215 420 2HD1 LEU 61 2HD1 LEU 61 -1.914 1.050 1.535 421 3HD1 LEU 61 3HD1 LEU 61 -3.315 1.586 0.606 422 1HD2 LEU 61 1HD2 LEU 61 -0.077 0.791 -0.969 423 2HD2 LEU 61 2HD2 LEU 61 -0.441 -0.904 -1.299 424 3HD2 LEU 61 3HD2 LEU 61 -0.141 -0.372 0.354 425 H PHE 62 H PHE 62 -0.129 -1.119 2.454 426 HA PHE 62 HA PHE 62 -1.659 -0.540 4.901 427 2HB PHE 62 2HB PHE 62 1.257 -1.209 4.441 428 HD1 PHE 62 1HD PHE 62 2.410 0.347 5.801 429 HD2 PHE 62 2HD PHE 62 -0.885 -1.841 7.373 430 HE1 PHE 62 1HE PHE 62 3.025 1.061 8.070 431 HE2 PHE 62 2HE PHE 62 -0.280 -1.123 9.646 432 HZ PHE 62 HZ PHE 62 1.678 0.329 9.996 433 H ALA 63 H ALA 63 -1.599 1.454 5.817 434 HA ALA 63 HA ALA 63 -0.336 3.585 4.267 435 1HB ALA 63 1HB ALA 63 -2.300 3.783 6.548 436 2HB ALA 63 2HB ALA 63 -2.722 3.780 4.836 437 3HB ALA 63 3HB ALA 63 -1.761 5.100 5.503 438 H VAL 64 H VAL 64 1.678 4.084 4.834 439 HA VAL 64 HA VAL 64 2.606 3.747 7.567 440 HB VAL 64 HB VAL 64 4.078 4.792 5.140 441 1HG1 VAL 64 1HG1 VAL 64 6.106 4.388 6.406 442 2HG1 VAL 64 2HG1 VAL 64 5.155 3.840 7.789 443 3HG1 VAL 64 3HG1 VAL 64 5.063 5.522 7.267 444 1HG2 VAL 64 1HG2 VAL 64 3.379 2.503 4.804 445 2HG2 VAL 64 2HG2 VAL 64 4.032 2.046 6.379 446 3HG2 VAL 64 3HG2 VAL 64 5.119 2.563 5.090 447 H ASN 65 H ASN 65 1.782 5.253 8.861 448 HA ASN 65 HA ASN 65 2.654 7.894 8.943 449 2HB ASN 65 2HB ASN 65 -0.225 7.806 8.047 450 1HD2 ASN 65 1HD2 ASN 65 2.804 9.596 8.325 451 2HD2 ASN 65 2HD2 ASN 65 2.075 11.164 8.411 452 H GLU 66 H GLU 66 -0.508 6.337 9.290 453 HA GLU 66 HA GLU 66 -0.397 6.786 12.189 454 2HB GLU 66 2HB GLU 66 -2.760 6.080 10.436 455 2HG GLU 66 2HG GLU 66 -2.632 6.962 13.305 456 H ASP 67 H ASP 67 0.012 4.502 9.804 457 HA ASP 67 HA ASP 67 0.498 2.312 9.766 458 2HB ASP 67 2HB ASP 67 0.856 1.141 12.026 459 H LYS 68 H LYS 68 -1.392 1.829 8.761 460 HA LYS 68 HA LYS 68 -3.012 -0.118 10.022 461 2HB LYS 68 2HB LYS 68 -4.091 1.852 11.012 462 2HG LYS 68 2HG LYS 68 -4.885 2.717 8.246 463 2HD LYS 68 2HD LYS 68 -5.600 4.743 9.383 464 2HE LYS 68 2HE LYS 68 -6.627 2.220 10.675 465 1HZ LYS 68 1HZ LYS 68 -7.202 4.149 12.010 466 2HZ LYS 68 2HZ LYS 68 -8.574 3.513 11.251 467 3HZ LYS 68 3HZ LYS 68 -7.851 4.929 10.651 468 H GLU 69 H GLU 69 -4.510 -1.086 8.474 469 HA GLU 69 HA GLU 69 -3.515 -0.881 5.770 470 2HB GLU 69 2HB GLU 69 -5.026 -2.760 5.303 471 2HG GLU 69 2HG GLU 69 -3.411 -3.052 7.816 472 H LEU 70 H LEU 70 -4.484 0.100 4.081 473 HA LEU 70 HA LEU 70 -6.932 1.603 4.630 474 2HB LEU 70 2HB LEU 70 -6.509 2.676 2.444 475 HG LEU 70 HG LEU 70 -3.941 2.742 4.019 476 1HD1 LEU 70 1HD1 LEU 70 -3.864 5.048 3.136 477 2HD1 LEU 70 2HD1 LEU 70 -5.311 4.704 2.182 478 3HD1 LEU 70 3HD1 LEU 70 -3.817 3.821 1.870 479 1HD2 LEU 70 1HD2 LEU 70 -5.826 3.084 5.539 480 2HD2 LEU 70 2HD2 LEU 70 -6.464 4.336 4.472 481 3HD2 LEU 70 3HD2 LEU 70 -4.919 4.577 5.291 482 H CYS 71 H CYS 71 -5.671 -0.821 2.378 483 HA CYS 71 HA CYS 71 -8.368 -1.624 1.712 484 2HB CYS 71 2HB CYS 71 -6.502 -0.470 -0.372 485 HG CYS 71 HG CYS 71 -9.690 -1.083 -1.216 486 H HIS 72 H HIS 72 -8.458 -3.566 0.482 487 HA HIS 72 HA HIS 72 -5.916 -4.994 0.152 488 2HB HIS 72 2HB HIS 72 -6.801 -6.113 2.031 489 HD1 HIS 72 1HD HIS 72 -9.859 -7.056 0.013 490 HD2 HIS 72 2HD HIS 72 -8.860 -5.003 3.496 491 HE1 HIS 72 1HE HIS 72 -12.033 -6.627 1.199 492 H TYR 73 H TYR 73 -5.641 -5.790 -1.811 493 HA TYR 73 HA TYR 73 -5.959 -6.331 -3.976 494 2HB TYR 73 2HB TYR 73 -8.275 -7.055 -4.724 495 HD1 TYR 73 1HD TYR 73 -7.219 -9.041 -5.363 496 HD2 TYR 73 2HD TYR 73 -7.660 -8.153 -1.226 497 HE1 TYR 73 1HE TYR 73 -6.476 -11.312 -4.804 498 HE2 TYR 73 2HE TYR 73 -6.916 -10.428 -0.654 499 HH TYR 73 HH TYR 73 -5.484 -12.517 -2.951 500 H PHE 74 H PHE 74 -6.302 -5.347 -5.860 501 HA PHE 74 HA PHE 74 -6.664 -3.676 -7.333 502 2HB PHE 74 2HB PHE 74 -8.916 -2.723 -7.417 503 HD1 PHE 74 1HD PHE 74 -8.348 -4.479 -9.195 504 HD2 PHE 74 2HD PHE 74 -10.147 -5.415 -5.454 505 HE1 PHE 74 1HE PHE 74 -9.121 -6.627 -10.109 506 HE2 PHE 74 2HE PHE 74 -10.926 -7.567 -6.361 507 HZ PHE 74 HZ PHE 74 -10.409 -8.174 -8.691 508 H LEU 75 H LEU 75 -8.571 -1.420 -5.887 509 HA LEU 75 HA LEU 75 -6.742 -0.113 -4.174 510 2HB LEU 75 2HB LEU 75 -6.988 1.319 -6.790 511 HG LEU 75 HG LEU 75 -6.006 2.550 -4.882 512 1HD1 LEU 75 1HD1 LEU 75 -5.068 0.607 -3.712 513 2HD1 LEU 75 2HD1 LEU 75 -3.858 1.861 -3.984 514 3HD1 LEU 75 3HD1 LEU 75 -3.880 0.420 -5.003 515 1HD2 LEU 75 1HD2 LEU 75 -5.302 3.060 -7.170 516 2HD2 LEU 75 2HD2 LEU 75 -4.034 1.839 -7.050 517 3HD2 LEU 75 3HD2 LEU 75 -3.974 3.275 -6.025 518 H ASP 76 H ASP 76 -8.278 0.653 -2.842 519 HA ASP 76 HA ASP 76 -10.681 1.876 -3.874 520 2HB ASP 76 2HB ASP 76 -10.890 2.553 -1.341 521 H SER 77 H SER 77 -10.006 3.562 -5.101 522 HA SER 77 HA SER 77 -8.047 5.428 -4.490 523 2HB SER 77 2HB SER 77 -9.023 6.780 -6.270 524 HG SER 77 HG SER 77 -9.509 4.816 -7.754 525 H ASP 78 H ASP 78 -11.350 5.254 -3.397 526 HA ASP 78 HA ASP 78 -11.593 7.992 -2.647 527 2HB ASP 78 2HB ASP 78 -13.119 5.634 -1.528 528 H VAL 79 H VAL 79 -10.765 5.032 -0.885 529 HA VAL 79 HA VAL 79 -10.592 6.313 1.650 530 HB VAL 79 HB VAL 79 -9.566 3.631 0.726 531 1HG1 VAL 79 1HG1 VAL 79 -9.313 3.071 3.092 532 2HG1 VAL 79 2HG1 VAL 79 -9.742 4.724 3.535 533 3HG1 VAL 79 3HG1 VAL 79 -8.255 4.408 2.639 534 1HG2 VAL 79 1HG2 VAL 79 -11.502 2.796 2.015 535 2HG2 VAL 79 2HG2 VAL 79 -11.972 3.832 0.665 536 3HG2 VAL 79 3HG2 VAL 79 -11.988 4.468 2.310 537 H ILE 80 H ILE 80 -8.141 5.248 -0.712 538 HA ILE 80 HA ILE 80 -5.937 6.170 0.801 539 HB ILE 80 HB ILE 80 -5.626 4.610 -1.063 540 2HG1 ILE 80 2HG1 ILE 80 -4.210 7.259 -1.288 541 1HG2 ILE 80 1HG2 ILE 80 -7.292 5.452 -2.582 542 2HG2 ILE 80 2HG2 ILE 80 -5.716 5.390 -3.369 543 3HG2 ILE 80 3HG2 ILE 80 -6.363 6.934 -2.812 544 1HD1 ILE 80 1HD1 ILE 80 -3.339 4.610 -0.171 545 2HD1 ILE 80 2HD1 ILE 80 -3.778 6.043 0.761 546 3HD1 ILE 80 3HD1 ILE 80 -2.351 6.067 -0.274 547 H GLY 81 H GLY 81 -8.218 7.749 -1.310 548 1HA GLY 81 1HA GLY 81 -6.796 10.179 -1.671 549 2HA GLY 81 2HA GLY 81 -8.536 9.969 -1.823 550 H ALA 82 H ALA 82 -8.984 9.002 0.821 551 HA ALA 82 HA ALA 82 -9.244 11.443 2.239 552 1HB ALA 82 1HB ALA 82 -10.839 9.623 2.515 553 2HB ALA 82 2HB ALA 82 -10.099 10.027 4.064 554 3HB ALA 82 3HB ALA 82 -9.574 8.591 3.184 555 H TYR 83 H TYR 83 -6.829 8.968 2.155 556 HA TYR 83 HA TYR 83 -5.488 9.899 4.550 557 2HB TYR 83 2HB TYR 83 -5.008 7.674 2.577 558 HD1 TYR 83 1HD TYR 83 -3.599 8.401 5.956 559 HD2 TYR 83 2HD TYR 83 -2.818 7.473 1.877 560 HE1 TYR 83 1HE TYR 83 -1.209 8.125 6.479 561 HE2 TYR 83 2HE TYR 83 -0.437 7.193 2.392 562 HH TYR 83 HH TYR 83 0.786 6.961 5.515 563 H LEU 84 H LEU 84 -4.990 9.943 1.057 564 HA LEU 84 HA LEU 84 -2.361 11.068 1.221 565 2HB LEU 84 2HB LEU 84 -3.302 11.474 -1.371 566 HG LEU 84 HG LEU 84 -2.118 9.369 -1.967 567 1HD1 LEU 84 1HD1 LEU 84 -0.924 11.525 -1.719 568 2HD1 LEU 84 2HD1 LEU 84 0.085 10.135 -1.331 569 3HD1 LEU 84 3HD1 LEU 84 -0.595 11.119 -0.037 570 1HD2 LEU 84 1HD2 LEU 84 -2.691 8.088 0.020 571 2HD2 LEU 84 2HD2 LEU 84 -1.677 9.152 0.995 572 3HD2 LEU 84 3HD2 LEU 84 -0.950 8.137 -0.249 573 H SER 85 H SER 85 -5.589 12.389 0.645 574 HA SER 85 HA SER 85 -4.386 15.033 0.222 575 2HB SER 85 2HB SER 85 -6.536 15.691 -0.728 576 HG SER 85 HG SER 85 -4.945 13.836 -1.730 Start of MODEL 16 1 HA MET 1 HA MET 1 -0.768 29.769 -1.334 2 2HB MET 1 2HB MET 1 -0.839 30.280 1.117 3 2HG MET 1 2HG MET 1 -3.402 30.906 -0.337 4 1HE MET 1 1HE MET 1 -4.236 34.229 1.603 5 2HE MET 1 2HE MET 1 -4.734 33.149 0.301 6 3HE MET 1 3HE MET 1 -3.220 34.047 0.172 7 H ASN 2 H ASN 2 1.071 29.345 0.271 8 HA ASN 2 HA ASN 2 1.717 26.543 -0.011 9 2HB ASN 2 2HB ASN 2 3.382 28.835 1.049 10 1HD2 ASN 2 1HD2 ASN 2 5.537 28.422 1.404 11 2HD2 ASN 2 2HD2 ASN 2 6.177 26.824 1.551 12 H ASN 3 H ASN 3 0.123 25.783 1.556 13 HA ASN 3 HA ASN 3 1.259 25.877 4.261 14 2HB ASN 3 2HB ASN 3 -1.107 26.238 4.367 15 1HD2 ASN 3 1HD2 ASN 3 -1.718 22.906 3.887 16 2HD2 ASN 3 2HD2 ASN 3 -2.778 23.065 2.525 17 H GLN 4 H GLN 4 3.040 24.663 4.001 18 HA GLN 4 HA GLN 4 3.082 22.483 2.163 19 2HB GLN 4 2HB GLN 4 5.204 23.330 4.134 20 2HG GLN 4 2HG GLN 4 5.444 21.830 1.537 21 1HE2 GLN 4 1HE2 GLN 4 7.031 23.221 0.747 22 2HE2 GLN 4 2HE2 GLN 4 8.611 23.291 1.446 23 H VAL 5 H VAL 5 2.192 20.605 2.631 24 HA VAL 5 HA VAL 5 2.908 19.353 5.186 25 HB VAL 5 HB VAL 5 1.161 17.595 4.449 26 1HG1 VAL 5 1HG1 VAL 5 0.303 20.352 5.315 27 2HG1 VAL 5 2HG1 VAL 5 0.908 19.068 6.367 28 3HG1 VAL 5 3HG1 VAL 5 -0.631 18.869 5.522 29 1HG2 VAL 5 1HG2 VAL 5 0.268 19.948 2.779 30 2HG2 VAL 5 2HG2 VAL 5 -0.672 18.487 3.076 31 3HG2 VAL 5 3HG2 VAL 5 0.836 18.394 2.167 32 H GLU 6 H GLU 6 3.731 17.298 5.170 33 HA GLU 6 HA GLU 6 5.393 16.774 2.857 34 2HB GLU 6 2HB GLU 6 6.571 16.840 4.904 35 2HG GLU 6 2HG GLU 6 4.863 14.674 6.071 36 HA PRO 7 HA PRO 7 3.109 13.411 1.387 37 2HB PRO 7 2HB PRO 7 4.706 13.399 -0.286 38 2HG PRO 7 2HG PRO 7 6.970 13.499 0.207 39 2HD PRO 7 2HD PRO 7 6.398 15.277 1.532 40 H ARG 8 H ARG 8 2.663 11.100 1.390 41 HA ARG 8 HA ARG 8 3.340 9.876 3.975 42 2HB ARG 8 2HB ARG 8 1.250 8.572 3.659 43 2HG ARG 8 2HG ARG 8 0.919 11.560 3.463 44 2HD ARG 8 2HD ARG 8 -1.029 9.403 4.239 45 HE ARG 8 HE ARG 8 -1.671 12.270 4.346 46 1HH1 ARG 8 1HH1 ARG 8 -1.300 9.179 5.932 47 2HH1 ARG 8 2HH1 ARG 8 -2.199 9.623 7.349 48 1HH2 ARG 8 1HH2 ARG 8 -2.857 12.893 6.204 49 2HH2 ARG 8 2HH2 ARG 8 -3.051 11.771 7.518 50 H LYS 9 H LYS 9 2.703 7.237 3.490 51 HA LYS 9 HA LYS 9 4.155 6.462 1.109 52 2HB LYS 9 2HB LYS 9 5.201 5.804 3.865 53 2HG LYS 9 2HG LYS 9 5.843 4.713 1.184 54 2HD LYS 9 2HD LYS 9 7.912 5.002 3.360 55 2HE LYS 9 2HE LYS 9 7.850 3.729 0.651 56 1HZ LYS 9 1HZ LYS 9 10.256 3.437 0.867 57 2HZ LYS 9 2HZ LYS 9 10.265 4.467 2.216 58 3HZ LYS 9 3HZ LYS 9 9.839 5.078 0.687 59 H LEU 10 H LEU 10 3.606 4.535 0.334 60 HA LEU 10 HA LEU 10 1.968 2.740 2.009 61 2HB LEU 10 2HB LEU 10 1.285 1.774 -0.249 62 HG LEU 10 HG LEU 10 0.458 4.625 0.299 63 1HD1 LEU 10 1HD1 LEU 10 -1.453 4.140 -1.119 64 2HD1 LEU 10 2HD1 LEU 10 -0.831 2.523 -1.440 65 3HD1 LEU 10 3HD1 LEU 10 0.045 3.937 -2.025 66 1HD2 LEU 10 1HD2 LEU 10 -0.856 1.995 0.996 67 2HD2 LEU 10 2HD2 LEU 10 -1.493 3.605 1.345 68 3HD2 LEU 10 3HD2 LEU 10 -0.014 3.052 2.132 69 H VAL 11 H VAL 11 2.812 0.822 2.504 70 HA VAL 11 HA VAL 11 5.053 -0.186 0.887 71 HB VAL 11 HB VAL 11 4.193 -0.963 3.690 72 1HG1 VAL 11 1HG1 VAL 11 6.059 -2.523 3.690 73 2HG1 VAL 11 2HG1 VAL 11 6.456 -2.078 2.030 74 3HG1 VAL 11 3HG1 VAL 11 4.941 -2.915 2.377 75 1HG2 VAL 11 1HG2 VAL 11 6.368 -0.110 4.362 76 2HG2 VAL 11 2HG2 VAL 11 5.439 1.146 3.547 77 3HG2 VAL 11 3HG2 VAL 11 6.740 0.315 2.691 78 H VAL 12 H VAL 12 4.755 -1.995 -0.310 79 HA VAL 12 HA VAL 12 2.158 -3.304 -0.061 80 HB VAL 12 HB VAL 12 4.210 -3.814 -2.203 81 1HG1 VAL 12 1HG1 VAL 12 2.464 -5.499 -1.962 82 2HG1 VAL 12 2HG1 VAL 12 2.305 -4.623 -3.485 83 3HG1 VAL 12 3HG1 VAL 12 1.232 -4.249 -2.137 84 1HG2 VAL 12 1HG2 VAL 12 2.950 -2.253 -3.618 85 2HG2 VAL 12 2HG2 VAL 12 3.720 -1.454 -2.246 86 3HG2 VAL 12 3HG2 VAL 12 1.989 -1.789 -2.215 87 H TYR 13 H TYR 13 2.178 -4.809 1.476 88 HA TYR 13 HA TYR 13 4.502 -6.404 2.099 89 2HB TYR 13 2HB TYR 13 2.810 -7.692 3.543 90 HD1 TYR 13 1HD TYR 13 5.248 -6.048 3.967 91 HD2 TYR 13 2HD TYR 13 1.189 -5.318 5.033 92 HE1 TYR 13 1HE TYR 13 5.999 -4.646 5.841 93 HE2 TYR 13 2HE TYR 13 1.936 -3.908 6.901 94 HH TYR 13 HH TYR 13 3.877 -3.607 8.307 95 H GLY 14 H GLY 14 5.072 -7.762 0.483 96 1HA GLY 14 1HA GLY 14 2.916 -9.423 -0.659 97 2HA GLY 14 2HA GLY 14 4.342 -8.918 -1.553 98 H ARG 15 H ARG 15 4.138 -11.352 -1.867 99 HA ARG 15 HA ARG 15 6.449 -12.352 -0.557 100 2HB ARG 15 2HB ARG 15 4.850 -13.099 1.114 101 2HG ARG 15 2HG ARG 15 3.351 -14.245 -1.203 102 2HD ARG 15 2HD ARG 15 2.113 -15.646 0.368 103 HE ARG 15 HE ARG 15 4.417 -16.409 -0.664 104 1HH1 ARG 15 1HH1 ARG 15 3.250 -16.797 2.608 105 2HH1 ARG 15 2HH1 ARG 15 4.184 -18.227 2.922 106 1HH2 ARG 15 1HH2 ARG 15 5.647 -18.267 -0.304 107 2HH2 ARG 15 2HH2 ARG 15 5.570 -19.079 1.245 108 H GLU 16 H GLU 16 7.442 -12.586 -2.423 109 HA GLU 16 HA GLU 16 8.260 -13.798 -4.148 110 2HB GLU 16 2HB GLU 16 7.332 -15.979 -4.689 111 2HG GLU 16 2HG GLU 16 7.322 -15.395 -1.731 112 H GLY 17 H GLY 17 4.678 -13.704 -4.505 113 1HA GLY 17 1HA GLY 17 4.826 -11.917 -6.703 114 2HA GLY 17 2HA GLY 17 4.671 -13.561 -7.296 115 H CYS 18 H CYS 18 2.828 -11.468 -7.727 116 HA CYS 18 HA CYS 18 0.408 -12.840 -7.181 117 2HB CYS 18 2HB CYS 18 0.865 -10.276 -5.637 118 HG CYS 18 HG CYS 18 -1.836 -11.283 -4.487 119 H HIS 19 H HIS 19 -0.966 -12.348 -8.813 120 HA HIS 19 HA HIS 19 -0.084 -10.556 -10.836 121 2HB HIS 19 2HB HIS 19 -2.864 -11.704 -10.662 122 HD1 HIS 19 1HD HIS 19 -3.692 -9.883 -12.358 123 HD2 HIS 19 2HD HIS 19 -0.475 -12.178 -13.691 124 HE1 HIS 19 1HE HIS 19 -3.498 -9.429 -14.824 125 H LEU 20 H LEU 20 -2.684 -10.376 -8.427 126 HA LEU 20 HA LEU 20 -3.864 -8.017 -9.392 127 2HB LEU 20 2HB LEU 20 -4.695 -7.771 -6.986 128 HG LEU 20 HG LEU 20 -5.282 -10.507 -8.092 129 1HD1 LEU 20 1HD1 LEU 20 -7.471 -10.139 -7.140 130 2HD1 LEU 20 2HD1 LEU 20 -7.025 -8.504 -6.651 131 3HD1 LEU 20 3HD1 LEU 20 -6.243 -9.898 -5.899 132 1HD2 LEU 20 1HD2 LEU 20 -6.451 -7.881 -9.006 133 2HD2 LEU 20 2HD2 LEU 20 -6.981 -9.488 -9.507 134 3HD2 LEU 20 3HD2 LEU 20 -5.371 -8.911 -9.942 135 H CYS 21 H CYS 21 -1.063 -8.544 -7.379 136 HA CYS 21 HA CYS 21 -0.730 -6.005 -6.285 137 2HB CYS 21 2HB CYS 21 1.413 -7.885 -7.299 138 HG CYS 21 HG CYS 21 2.927 -5.705 -6.947 139 H GLU 22 H GLU 22 0.464 -7.277 -9.382 140 HA GLU 22 HA GLU 22 1.702 -4.940 -10.300 141 2HB GLU 22 2HB GLU 22 1.412 -5.971 -12.577 142 2HG GLU 22 2HG GLU 22 2.649 -8.078 -12.115 143 H GLU 23 H GLU 23 -1.613 -6.078 -10.576 144 HA GLU 23 HA GLU 23 -2.484 -4.146 -12.439 145 2HB GLU 23 2HB GLU 23 -4.767 -4.819 -11.707 146 2HG GLU 23 2HG GLU 23 -2.914 -7.169 -12.030 147 H MET 24 H MET 24 -2.472 -4.219 -8.907 148 HA MET 24 HA MET 24 -3.808 -1.708 -8.655 149 2HB MET 24 2HB MET 24 -3.091 -1.714 -6.317 150 2HG MET 24 2HG MET 24 -3.710 -4.575 -6.754 151 1HE MET 24 1HE MET 24 -5.338 -1.482 -3.727 152 2HE MET 24 2HE MET 24 -5.717 -1.384 -5.447 153 3HE MET 24 3HE MET 24 -4.061 -1.139 -4.894 154 H ILE 25 H ILE 25 -0.416 -2.707 -8.786 155 HA ILE 25 HA ILE 25 0.775 -0.295 -8.077 156 HB ILE 25 HB ILE 25 1.735 -2.373 -10.052 157 2HG1 ILE 25 2HG1 ILE 25 1.481 -3.119 -7.713 158 1HG2 ILE 25 1HG2 ILE 25 2.814 -0.254 -10.562 159 2HG2 ILE 25 2HG2 ILE 25 3.961 -1.376 -9.829 160 3HG2 ILE 25 3HG2 ILE 25 3.272 -0.064 -8.870 161 1HD1 ILE 25 1HD1 ILE 25 3.336 -4.087 -8.944 162 2HD1 ILE 25 2HD1 ILE 25 3.742 -3.868 -7.241 163 3HD1 ILE 25 3HD1 ILE 25 4.369 -2.747 -8.450 164 H ALA 26 H ALA 26 -0.185 -1.394 -11.337 165 HA ALA 26 HA ALA 26 0.610 0.884 -12.750 166 1HB ALA 26 1HB ALA 26 -0.969 0.164 -14.475 167 2HB ALA 26 2HB ALA 26 -1.714 -0.952 -13.330 168 3HB ALA 26 3HB ALA 26 -0.044 -1.197 -13.842 169 H SER 27 H SER 27 -2.449 0.179 -11.120 170 HA SER 27 HA SER 27 -3.778 2.537 -11.928 171 2HB SER 27 2HB SER 27 -5.388 1.964 -10.140 172 HG SER 27 HG SER 27 -4.661 -0.526 -11.191 173 H LEU 28 H LEU 28 -1.943 1.691 -9.007 174 HA LEU 28 HA LEU 28 -2.385 4.155 -7.686 175 2HB LEU 28 2HB LEU 28 -0.147 3.336 -6.493 176 HG LEU 28 HG LEU 28 -1.372 1.903 -4.978 177 1HD1 LEU 28 1HD1 LEU 28 -3.196 3.421 -4.352 178 2HD1 LEU 28 2HD1 LEU 28 -3.036 4.239 -5.907 179 3HD1 LEU 28 3HD1 LEU 28 -1.712 4.291 -4.745 180 1HD2 LEU 28 1HD2 LEU 28 -3.576 1.962 -7.039 181 2HD2 LEU 28 2HD2 LEU 28 -3.727 1.312 -5.407 182 3HD2 LEU 28 3HD2 LEU 28 -2.621 0.560 -6.556 183 H ARG 29 H ARG 29 0.055 3.080 -9.981 184 HA ARG 29 HA ARG 29 1.928 5.125 -9.650 185 2HB ARG 29 2HB ARG 29 2.419 4.751 -12.112 186 2HG ARG 29 2HG ARG 29 3.080 2.368 -11.864 187 2HD ARG 29 2HD ARG 29 4.594 2.741 -9.909 188 HE ARG 29 HE ARG 29 4.477 4.742 -12.057 189 1HH1 ARG 29 1HH1 ARG 29 6.334 2.952 -9.690 190 2HH1 ARG 29 2HH1 ARG 29 7.879 3.399 -10.349 191 1HH2 ARG 29 1HH2 ARG 29 6.507 5.347 -12.927 192 2HH2 ARG 29 2HH2 ARG 29 7.975 4.774 -12.193 193 H VAL 30 H VAL 30 -1.069 5.048 -11.494 194 HA VAL 30 HA VAL 30 -0.746 7.580 -12.711 195 HB VAL 30 HB VAL 30 -3.295 6.055 -12.154 196 1HG1 VAL 30 1HG1 VAL 30 -3.766 8.404 -12.562 197 2HG1 VAL 30 2HG1 VAL 30 -4.255 7.439 -13.956 198 3HG1 VAL 30 3HG1 VAL 30 -2.760 8.376 -14.011 199 1HG2 VAL 30 1HG2 VAL 30 -1.490 6.171 -14.569 200 2HG2 VAL 30 2HG2 VAL 30 -3.075 5.390 -14.535 201 3HG2 VAL 30 3HG2 VAL 30 -1.768 4.775 -13.520 202 H LEU 31 H LEU 31 -2.387 6.544 -9.741 203 HA LEU 31 HA LEU 31 -3.308 9.121 -9.006 204 2HB LEU 31 2HB LEU 31 -2.627 7.159 -6.885 205 HG LEU 31 HG LEU 31 -5.195 8.603 -7.540 206 1HD1 LEU 31 1HD1 LEU 31 -5.626 6.441 -6.506 207 2HD1 LEU 31 2HD1 LEU 31 -6.000 7.763 -5.401 208 3HD1 LEU 31 3HD1 LEU 31 -4.511 6.840 -5.198 209 1HD2 LEU 31 1HD2 LEU 31 -3.511 10.118 -6.683 210 2HD2 LEU 31 2HD2 LEU 31 -3.179 9.029 -5.337 211 3HD2 LEU 31 3HD2 LEU 31 -4.745 9.836 -5.453 212 H GLN 32 H GLN 32 -0.354 7.335 -8.480 213 HA GLN 32 HA GLN 32 0.881 8.929 -6.543 214 2HB GLN 32 2HB GLN 32 2.440 7.622 -8.749 215 2HG GLN 32 2HG GLN 32 2.833 7.368 -5.786 216 1HE2 GLN 32 1HE2 GLN 32 4.759 6.388 -5.243 217 2HE2 GLN 32 2HE2 GLN 32 5.783 5.597 -6.393 218 H LYS 33 H LYS 33 0.421 9.379 -9.939 219 HA LYS 33 HA LYS 33 2.413 11.385 -10.296 220 2HB LYS 33 2HB LYS 33 1.135 11.791 -12.453 221 2HG LYS 33 2HG LYS 33 2.028 8.969 -11.909 222 2HD LYS 33 2HD LYS 33 2.846 9.299 -14.324 223 2HE LYS 33 2HE LYS 33 -0.119 9.112 -13.844 224 1HZ LYS 33 1HZ LYS 33 1.659 8.220 -16.041 225 2HZ LYS 33 2HZ LYS 33 0.261 9.179 -16.146 226 3HZ LYS 33 3HZ LYS 33 0.136 7.524 -15.783 227 H LYS 34 H LYS 34 -0.638 11.382 -8.854 228 HA LYS 34 HA LYS 34 -0.797 14.313 -9.060 229 2HB LYS 34 2HB LYS 34 -3.077 14.060 -8.072 230 2HG LYS 34 2HG LYS 34 -2.390 13.597 -10.700 231 2HD LYS 34 2HD LYS 34 -2.731 11.162 -10.298 232 2HE LYS 34 2HE LYS 34 -4.591 11.510 -8.634 233 1HZ LYS 34 1HZ LYS 34 -5.911 13.056 -10.050 234 2HZ LYS 34 2HZ LYS 34 -6.804 11.760 -9.434 235 3HZ LYS 34 3HZ LYS 34 -6.294 11.747 -11.058 236 H SER 35 H SER 35 -0.810 11.601 -6.795 237 HA SER 35 HA SER 35 0.102 13.428 -4.679 238 2HB SER 35 2HB SER 35 -1.327 12.315 -3.052 239 HG SER 35 HG SER 35 -2.210 13.796 -4.994 240 H TRP 36 H TRP 36 2.077 12.804 -4.061 241 HA TRP 36 HA TRP 36 3.092 10.221 -4.769 242 2HB TRP 36 2HB TRP 36 4.406 12.367 -3.090 243 HD1 TRP 36 HD TRP 36 6.063 10.813 -1.749 244 HE1 TRP 36 1HE TRP 36 7.972 9.218 -2.447 245 HE3 TRP 36 3HE TRP 36 5.163 10.634 -6.772 246 HZ2 TRP 36 2HZ TRP 36 8.937 8.039 -4.799 247 HZ3 TRP 36 3HZ TRP 36 6.632 9.247 -8.186 248 HH2 TRP 36 HH TRP 36 8.484 7.977 -7.218 249 H PHE 37 H PHE 37 3.306 8.467 -3.558 250 HA PHE 37 HA PHE 37 3.098 8.670 -0.651 251 2HB PHE 37 2HB PHE 37 0.863 8.096 -1.186 252 HD1 PHE 37 1HD PHE 37 2.347 4.964 -2.503 253 HD2 PHE 37 2HD PHE 37 -0.077 8.368 -3.301 254 HE1 PHE 37 1HE PHE 37 1.643 3.961 -4.634 255 HE2 PHE 37 2HE PHE 37 -0.784 7.373 -5.433 256 HZ PHE 37 HZ PHE 37 0.076 5.165 -6.103 257 H GLU 38 H GLU 38 5.195 8.051 -2.775 258 HA GLU 38 HA GLU 38 6.978 6.666 -3.066 259 2HB GLU 38 2HB GLU 38 7.584 5.190 -1.098 260 2HG GLU 38 2HG GLU 38 7.716 7.202 0.556 261 H LEU 39 H LEU 39 7.627 4.199 -2.907 262 HA LEU 39 HA LEU 39 5.370 2.386 -3.022 263 2HB LEU 39 2HB LEU 39 7.147 1.883 -5.282 264 HG LEU 39 HG LEU 39 5.263 1.345 -6.492 265 1HD1 LEU 39 1HD1 LEU 39 5.389 -0.089 -4.522 266 2HD1 LEU 39 2HD1 LEU 39 3.724 0.139 -5.056 267 3HD1 LEU 39 3HD1 LEU 39 4.325 1.016 -3.648 268 1HD2 LEU 39 1HD2 LEU 39 3.657 3.222 -4.766 269 2HD2 LEU 39 2HD2 LEU 39 3.030 2.256 -6.102 270 3HD2 LEU 39 3HD2 LEU 39 4.211 3.529 -6.413 271 H GLU 40 H GLU 40 6.009 0.918 -1.577 272 HA GLU 40 HA GLU 40 8.803 -0.022 -1.717 273 2HB GLU 40 2HB GLU 40 7.206 -0.189 0.808 274 2HG GLU 40 2HG GLU 40 9.458 -1.252 0.594 275 H VAL 41 H VAL 41 9.156 -2.222 -1.524 276 HA VAL 41 HA VAL 41 6.763 -3.938 -1.420 277 HB VAL 41 HB VAL 41 9.149 -4.380 -3.227 278 1HG1 VAL 41 1HG1 VAL 41 8.176 -6.460 -2.399 279 2HG1 VAL 41 2HG1 VAL 41 7.857 -6.250 -4.121 280 3HG1 VAL 41 3HG1 VAL 41 6.581 -5.937 -2.946 281 1HG2 VAL 41 1HG2 VAL 41 7.748 -2.563 -4.052 282 2HG2 VAL 41 2HG2 VAL 41 6.318 -3.588 -3.917 283 3HG2 VAL 41 3HG2 VAL 41 7.586 -3.990 -5.076 284 H ILE 42 H ILE 42 6.870 -5.252 0.268 285 HA ILE 42 HA ILE 42 9.496 -6.285 1.106 286 HB ILE 42 HB ILE 42 7.374 -5.210 2.970 287 2HG1 ILE 42 2HG1 ILE 42 8.680 -3.461 1.800 288 1HG2 ILE 42 1HG2 ILE 42 8.991 -5.692 4.755 289 2HG2 ILE 42 2HG2 ILE 42 10.070 -6.433 3.571 290 3HG2 ILE 42 3HG2 ILE 42 8.497 -7.160 3.910 291 1HD1 ILE 42 1HD1 ILE 42 9.579 -3.704 4.659 292 2HD1 ILE 42 2HD1 ILE 42 8.019 -3.065 4.143 293 3HD1 ILE 42 3HD1 ILE 42 9.506 -2.236 3.683 294 H ASN 43 H ASN 43 9.485 -8.452 1.323 295 HA ASN 43 HA ASN 43 6.964 -9.885 1.209 296 2HB ASN 43 2HB ASN 43 8.483 -11.934 1.375 297 1HD2 ASN 43 1HD2 ASN 43 10.389 -12.060 -0.610 298 2HD2 ASN 43 2HD2 ASN 43 9.667 -11.662 -2.128 299 H ILE 44 H ILE 44 5.870 -10.630 2.894 300 HA ILE 44 HA ILE 44 6.689 -10.219 5.570 301 HB ILE 44 HB ILE 44 4.765 -11.736 6.161 302 2HG1 ILE 44 2HG1 ILE 44 4.830 -13.152 4.137 303 1HG2 ILE 44 1HG2 ILE 44 4.509 -9.323 5.979 304 2HG2 ILE 44 2HG2 ILE 44 3.058 -10.149 5.409 305 3HG2 ILE 44 3HG2 ILE 44 4.200 -9.470 4.247 306 1HD1 ILE 44 1HD1 ILE 44 2.724 -13.118 5.285 307 2HD1 ILE 44 2HD1 ILE 44 2.450 -13.169 3.546 308 3HD1 ILE 44 3HD1 ILE 44 2.242 -11.655 4.430 309 H ASP 45 H ASP 45 6.500 -13.126 3.584 310 HA ASP 45 HA ASP 45 7.457 -15.164 3.698 311 2HB ASP 45 2HB ASP 45 9.846 -13.489 4.484 312 H GLY 46 H GLY 46 9.700 -14.138 6.185 313 1HA GLY 46 1HA GLY 46 8.878 -16.514 7.668 314 2HA GLY 46 2HA GLY 46 10.403 -15.666 7.838 315 H ASN 47 H ASN 47 8.219 -13.262 7.844 316 HA ASN 47 HA ASN 47 8.301 -13.061 10.729 317 2HB ASN 47 2HB ASN 47 7.139 -10.898 10.401 318 1HD2 ASN 47 1HD2 ASN 47 8.797 -11.044 7.384 319 2HD2 ASN 47 2HD2 ASN 47 10.249 -10.266 7.912 320 H GLU 48 H GLU 48 7.046 -14.867 11.306 321 HA GLU 48 HA GLU 48 4.538 -15.549 10.377 322 2HB GLU 48 2HB GLU 48 4.231 -16.763 12.477 323 2HG GLU 48 2HG GLU 48 6.257 -18.074 12.571 324 H HIS 49 H HIS 49 5.427 -13.119 12.727 325 HA HIS 49 HA HIS 49 2.946 -12.437 13.769 326 2HB HIS 49 2HB HIS 49 5.338 -10.701 13.107 327 HD1 HIS 49 1HD HIS 49 5.100 -8.271 13.407 328 HD2 HIS 49 2HD HIS 49 2.069 -10.365 15.344 329 HE1 HIS 49 1HE HIS 49 3.581 -6.521 14.379 330 H LEU 50 H LEU 50 4.507 -11.306 10.788 331 HA LEU 50 HA LEU 50 2.238 -9.705 10.029 332 2HB LEU 50 2HB LEU 50 3.482 -9.358 7.926 333 HG LEU 50 HG LEU 50 5.377 -9.086 10.260 334 1HD1 LEU 50 1HD1 LEU 50 5.183 -7.572 7.661 335 2HD1 LEU 50 2HD1 LEU 50 6.399 -8.786 8.053 336 3HD1 LEU 50 3HD1 LEU 50 6.340 -7.274 8.958 337 1HD2 LEU 50 1HD2 LEU 50 3.295 -7.151 9.250 338 2HD2 LEU 50 2HD2 LEU 50 4.443 -6.863 10.557 339 3HD2 LEU 50 3HD2 LEU 50 3.183 -8.084 10.744 340 H THR 51 H THR 51 3.593 -12.841 9.146 341 HA THR 51 HA THR 51 2.069 -13.395 6.901 342 HB THR 51 HB THR 51 2.864 -15.499 8.914 343 HG1 THR 51 1HG THR 51 4.911 -15.445 7.912 344 1HG2 THR 51 1HG2 THR 51 3.108 -16.909 6.963 345 2HG2 THR 51 2HG2 THR 51 2.776 -15.549 5.891 346 3HG2 THR 51 3HG2 THR 51 1.500 -16.180 6.937 347 H ARG 52 H ARG 52 1.240 -13.968 10.321 348 HA ARG 52 HA ARG 52 -1.169 -15.349 9.849 349 2HB ARG 52 2HB ARG 52 -1.810 -14.500 12.151 350 2HG ARG 52 2HG ARG 52 0.939 -15.707 12.005 351 2HD ARG 52 2HD ARG 52 -1.224 -15.744 14.106 352 HE ARG 52 HE ARG 52 0.825 -17.640 13.723 353 1HH1 ARG 52 1HH1 ARG 52 -0.600 -15.650 16.226 354 2HH1 ARG 52 2HH1 ARG 52 -0.190 -16.737 17.517 355 1HH2 ARG 52 1HH2 ARG 52 1.356 -19.084 15.390 356 2HH2 ARG 52 2HH2 ARG 52 0.930 -18.710 17.031 357 H LEU 53 H LEU 53 -0.393 -11.959 9.922 358 HA LEU 53 HA LEU 53 -3.116 -11.056 10.024 359 2HB LEU 53 2HB LEU 53 -2.085 -8.825 9.605 360 HG LEU 53 HG LEU 53 -0.890 -10.457 11.833 361 1HD1 LEU 53 1HD1 LEU 53 -0.602 -7.498 11.319 362 2HD1 LEU 53 2HD1 LEU 53 0.695 -8.692 11.245 363 3HD1 LEU 53 3HD1 LEU 53 -0.098 -8.342 12.783 364 1HD2 LEU 53 1HD2 LEU 53 -2.408 -9.109 13.192 365 2HD2 LEU 53 2HD2 LEU 53 -3.289 -9.984 11.938 366 3HD2 LEU 53 3HD2 LEU 53 -2.953 -8.261 11.742 367 H TYR 54 H TYR 54 -0.590 -11.282 7.536 368 HA TYR 54 HA TYR 54 -2.537 -10.221 5.596 369 2HB TYR 54 2HB TYR 54 -0.660 -9.267 4.377 370 HD1 TYR 54 1HD TYR 54 -2.031 -7.337 5.085 371 HD2 TYR 54 2HD TYR 54 0.899 -9.043 7.655 372 HE1 TYR 54 1HE TYR 54 -2.092 -5.318 6.487 373 HE2 TYR 54 2HE TYR 54 0.835 -7.035 9.071 374 HH TYR 54 HH TYR 54 0.245 -4.681 8.893 375 H ASN 55 H ASN 55 -1.620 -13.153 6.357 376 HA ASN 55 HA ASN 55 -0.299 -14.309 4.202 377 2HB ASN 55 2HB ASN 55 -2.566 -15.519 5.804 378 1HD2 ASN 55 1HD2 ASN 55 0.531 -16.913 5.116 379 2HD2 ASN 55 2HD2 ASN 55 -0.039 -18.204 4.110 380 H ASP 56 H ASP 56 -3.819 -13.965 4.608 381 HA ASP 56 HA ASP 56 -4.259 -14.747 1.835 382 2HB ASP 56 2HB ASP 56 -5.787 -15.521 3.663 383 H ARG 57 H ARG 57 -3.262 -12.021 3.212 384 HA ARG 57 HA ARG 57 -5.049 -10.200 1.737 385 2HB ARG 57 2HB ARG 57 -4.476 -8.508 3.307 386 2HG ARG 57 2HG ARG 57 -4.424 -9.965 5.601 387 2HD ARG 57 2HD ARG 57 -6.066 -8.226 4.750 388 HE ARG 57 HE ARG 57 -7.255 -10.571 3.468 389 1HH1 ARG 57 1HH1 ARG 57 -7.384 -7.157 4.261 390 2HH1 ARG 57 2HH1 ARG 57 -8.772 -6.850 3.264 391 1HH2 ARG 57 1HH2 ARG 57 -9.083 -10.169 2.149 392 2HH2 ARG 57 2HH2 ARG 57 -9.743 -8.558 2.061 393 H VAL 58 H VAL 58 -2.326 -11.733 1.063 394 HA VAL 58 HA VAL 58 -0.249 -9.944 1.290 395 HB VAL 58 HB VAL 58 0.907 -11.366 -0.480 396 1HG1 VAL 58 1HG1 VAL 58 1.301 -11.489 1.892 397 2HG1 VAL 58 2HG1 VAL 58 1.331 -13.100 1.160 398 3HG1 VAL 58 3HG1 VAL 58 -0.081 -12.577 2.083 399 1HG2 VAL 58 1HG2 VAL 58 -0.094 -13.576 -0.801 400 2HG2 VAL 58 2HG2 VAL 58 -1.021 -12.275 -1.549 401 3HG2 VAL 58 3HG2 VAL 58 -1.575 -12.995 -0.035 402 HA PRO 59 HA PRO 59 1.814 -7.840 -1.028 403 2HB PRO 59 2HB PRO 59 2.025 -7.330 -3.318 404 2HG PRO 59 2HG PRO 59 2.837 -9.465 -3.239 405 2HD PRO 59 2HD PRO 59 2.039 -10.615 -1.452 406 H VAL 60 H VAL 60 0.562 -6.821 0.636 407 HA VAL 60 HA VAL 60 -2.022 -5.622 -0.057 408 HB VAL 60 HB VAL 60 -0.873 -5.000 2.573 409 1HG1 VAL 60 1HG1 VAL 60 -3.193 -4.557 2.037 410 2HG1 VAL 60 2HG1 VAL 60 -3.066 -5.710 3.364 411 3HG1 VAL 60 3HG1 VAL 60 -3.469 -6.273 1.742 412 1HG2 VAL 60 1HG2 VAL 60 -1.396 -7.868 1.857 413 2HG2 VAL 60 2HG2 VAL 60 -1.206 -7.257 3.499 414 3HG2 VAL 60 3HG2 VAL 60 0.140 -7.165 2.364 415 H LEU 61 H LEU 61 -2.477 -3.350 0.405 416 HA LEU 61 HA LEU 61 -0.106 -1.649 0.290 417 2HB LEU 61 2HB LEU 61 -1.851 0.202 0.039 418 HG LEU 61 HG LEU 61 -1.924 -1.842 -2.167 419 1HD1 LEU 61 1HD1 LEU 61 -2.179 0.131 -3.592 420 2HD1 LEU 61 2HD1 LEU 61 -2.186 1.159 -2.155 421 3HD1 LEU 61 3HD1 LEU 61 -3.486 -0.004 -2.417 422 1HD2 LEU 61 1HD2 LEU 61 0.399 -1.512 -1.556 423 2HD2 LEU 61 2HD2 LEU 61 0.177 0.240 -1.554 424 3HD2 LEU 61 3HD2 LEU 61 0.062 -0.661 -3.066 425 H PHE 62 H PHE 62 0.722 -1.403 2.200 426 HA PHE 62 HA PHE 62 -0.985 -1.168 4.545 427 2HB PHE 62 2HB PHE 62 1.988 -1.532 4.166 428 HD1 PHE 62 1HD PHE 62 -0.423 -2.113 6.947 429 HD2 PHE 62 2HD PHE 62 3.224 -0.327 5.664 430 HE1 PHE 62 1HE PHE 62 0.078 -1.458 9.274 431 HE2 PHE 62 2HE PHE 62 3.729 0.340 7.974 432 HZ PHE 62 HZ PHE 62 2.155 -0.229 9.787 433 H ALA 63 H ALA 63 -1.407 0.707 5.500 434 HA ALA 63 HA ALA 63 -0.293 3.152 4.480 435 1HB ALA 63 1HB ALA 63 -2.643 3.001 5.161 436 2HB ALA 63 2HB ALA 63 -1.777 4.253 6.050 437 3HB ALA 63 3HB ALA 63 -2.135 2.711 6.827 438 H VAL 64 H VAL 64 1.757 3.542 4.983 439 HA VAL 64 HA VAL 64 3.074 2.570 7.289 440 HB VAL 64 HB VAL 64 3.916 4.766 5.384 441 1HG1 VAL 64 1HG1 VAL 64 5.248 4.816 7.415 442 2HG1 VAL 64 2HG1 VAL 64 6.200 4.217 6.053 443 3HG1 VAL 64 3HG1 VAL 64 5.574 3.087 7.257 444 1HG2 VAL 64 1HG2 VAL 64 4.493 1.807 5.330 445 2HG2 VAL 64 2HG2 VAL 64 5.147 3.006 4.214 446 3HG2 VAL 64 3HG2 VAL 64 3.415 2.673 4.235 447 H ASN 65 H ASN 65 3.768 3.595 9.114 448 HA ASN 65 HA ASN 65 4.037 5.137 10.743 449 2HB ASN 65 2HB ASN 65 3.280 7.514 10.425 450 1HD2 ASN 65 1HD2 ASN 65 4.197 8.501 7.866 451 2HD2 ASN 65 2HD2 ASN 65 5.888 8.153 7.788 452 H GLU 66 H GLU 66 0.873 4.744 9.309 453 HA GLU 66 HA GLU 66 -0.363 5.416 11.877 454 2HB GLU 66 2HB GLU 66 -2.519 5.128 10.555 455 2HG GLU 66 2HG GLU 66 -0.625 7.225 9.521 456 H ASP 67 H ASP 67 0.781 2.758 10.241 457 HA ASP 67 HA ASP 67 0.503 0.504 10.357 458 2HB ASP 67 2HB ASP 67 -0.234 1.125 13.225 459 H LYS 68 H LYS 68 -1.350 0.699 8.923 460 HA LYS 68 HA LYS 68 -3.624 -0.692 9.975 461 2HB LYS 68 2HB LYS 68 -4.337 1.508 10.623 462 2HG LYS 68 2HG LYS 68 -4.097 2.491 7.805 463 2HD LYS 68 2HD LYS 68 -4.022 4.691 9.040 464 2HE LYS 68 2HE LYS 68 -6.515 3.049 9.467 465 1HZ LYS 68 1HZ LYS 68 -6.705 5.120 10.588 466 2HZ LYS 68 2HZ LYS 68 -7.575 5.274 9.138 467 3HZ LYS 68 3HZ LYS 68 -6.039 5.975 9.284 468 H GLU 69 H GLU 69 -4.905 -1.595 8.342 469 HA GLU 69 HA GLU 69 -3.600 -1.659 5.729 470 2HB GLU 69 2HB GLU 69 -5.862 -3.407 6.696 471 2HG GLU 69 2HG GLU 69 -3.752 -4.540 5.027 472 H LEU 70 H LEU 70 -4.494 -0.633 4.013 473 HA LEU 70 HA LEU 70 -7.056 0.677 4.358 474 2HB LEU 70 2HB LEU 70 -6.619 1.702 2.192 475 HG LEU 70 HG LEU 70 -4.035 1.713 3.748 476 1HD1 LEU 70 1HD1 LEU 70 -5.212 3.650 1.758 477 2HD1 LEU 70 2HD1 LEU 70 -3.797 2.623 1.520 478 3HD1 LEU 70 3HD1 LEU 70 -3.753 3.925 2.712 479 1HD2 LEU 70 1HD2 LEU 70 -5.937 2.289 5.176 480 2HD2 LEU 70 2HD2 LEU 70 -6.454 3.502 4.005 481 3HD2 LEU 70 3HD2 LEU 70 -4.924 3.698 4.860 482 H CYS 71 H CYS 71 -5.745 -1.172 1.642 483 HA CYS 71 HA CYS 71 -7.503 -3.321 1.690 484 2HB CYS 71 2HB CYS 71 -8.363 -1.130 -0.224 485 HG CYS 71 HG CYS 71 -10.719 -3.290 -0.070 486 H HIS 72 H HIS 72 -6.745 -4.836 0.227 487 HA HIS 72 HA HIS 72 -5.508 -3.808 -2.198 488 2HB HIS 72 2HB HIS 72 -4.092 -6.024 -0.748 489 HD1 HIS 72 1HD HIS 72 -2.132 -3.269 -2.153 490 HD2 HIS 72 2HD HIS 72 -3.741 -6.851 -3.522 491 HE1 HIS 72 1HE HIS 72 -0.995 -3.723 -4.348 492 H TYR 73 H TYR 73 -6.096 -4.821 -3.866 493 HA TYR 73 HA TYR 73 -6.145 -7.493 -4.420 494 2HB TYR 73 2HB TYR 73 -8.774 -7.636 -4.811 495 HD1 TYR 73 1HD TYR 73 -6.429 -9.323 -4.037 496 HD2 TYR 73 2HD TYR 73 -9.723 -7.918 -1.738 497 HE1 TYR 73 1HE TYR 73 -6.157 -11.219 -2.499 498 HE2 TYR 73 2HE TYR 73 -9.461 -9.821 -0.199 499 HH TYR 73 HH TYR 73 -6.701 -11.772 -0.149 500 H PHE 74 H PHE 74 -8.592 -5.029 -5.150 501 HA PHE 74 HA PHE 74 -7.428 -4.828 -7.839 502 2HB PHE 74 2HB PHE 74 -9.812 -3.882 -8.366 503 HD1 PHE 74 1HD PHE 74 -8.923 -5.216 -10.271 504 HD2 PHE 74 2HD PHE 74 -10.506 -7.041 -6.766 505 HE1 PHE 74 1HE PHE 74 -9.158 -7.338 -11.489 506 HE2 PHE 74 2HE PHE 74 -10.742 -9.171 -7.979 507 HZ PHE 74 HZ PHE 74 -10.068 -9.322 -10.344 508 H LEU 75 H LEU 75 -9.677 -2.715 -6.042 509 HA LEU 75 HA LEU 75 -7.858 -0.857 -5.088 510 2HB LEU 75 2HB LEU 75 -9.077 0.109 -7.677 511 HG LEU 75 HG LEU 75 -8.529 1.983 -6.226 512 1HD1 LEU 75 1HD1 LEU 75 -6.955 0.846 -4.747 513 2HD1 LEU 75 2HD1 LEU 75 -6.265 2.331 -5.400 514 3HD1 LEU 75 3HD1 LEU 75 -5.773 0.769 -6.056 515 1HD2 LEU 75 1HD2 LEU 75 -8.043 2.187 -8.628 516 2HD2 LEU 75 2HD2 LEU 75 -6.409 1.584 -8.340 517 3HD2 LEU 75 3HD2 LEU 75 -6.916 3.126 -7.649 518 H ASP 76 H ASP 76 -8.879 0.631 -3.806 519 HA ASP 76 HA ASP 76 -11.795 0.515 -3.731 520 2HB ASP 76 2HB ASP 76 -10.586 0.185 -1.625 521 H SER 77 H SER 77 -9.168 2.842 -4.044 522 HA SER 77 HA SER 77 -9.029 4.949 -4.870 523 2HB SER 77 2HB SER 77 -10.531 5.633 -6.618 524 HG SER 77 HG SER 77 -10.627 2.882 -7.049 525 H ASP 78 H ASP 78 -10.557 4.351 -2.304 526 HA ASP 78 HA ASP 78 -11.761 7.012 -2.106 527 2HB ASP 78 2HB ASP 78 -13.128 4.507 -1.110 528 H VAL 79 H VAL 79 -11.016 4.076 -0.255 529 HA VAL 79 HA VAL 79 -10.591 5.421 2.208 530 HB VAL 79 HB VAL 79 -9.578 2.719 1.284 531 1HG1 VAL 79 1HG1 VAL 79 -9.803 3.869 4.071 532 2HG1 VAL 79 2HG1 VAL 79 -8.301 3.592 3.191 533 3HG1 VAL 79 3HG1 VAL 79 -9.308 2.225 3.668 534 1HG2 VAL 79 1HG2 VAL 79 -12.016 3.490 2.886 535 2HG2 VAL 79 2HG2 VAL 79 -11.483 1.839 2.561 536 3HG2 VAL 79 3HG2 VAL 79 -12.006 2.875 1.232 537 H ILE 80 H ILE 80 -8.479 4.343 -0.426 538 HA ILE 80 HA ILE 80 -6.076 5.284 0.747 539 HB ILE 80 HB ILE 80 -6.036 3.734 -1.163 540 2HG1 ILE 80 2HG1 ILE 80 -4.676 6.399 -1.544 541 1HG2 ILE 80 1HG2 ILE 80 -7.921 4.705 -2.413 542 2HG2 ILE 80 2HG2 ILE 80 -6.485 4.464 -3.410 543 3HG2 ILE 80 3HG2 ILE 80 -6.894 6.081 -2.831 544 1HD1 ILE 80 1HD1 ILE 80 -3.612 3.791 -0.524 545 2HD1 ILE 80 2HD1 ILE 80 -4.091 5.158 0.478 546 3HD1 ILE 80 3HD1 ILE 80 -2.745 5.323 -0.647 547 H GLY 81 H GLY 81 -8.583 6.825 -1.189 548 1HA GLY 81 1HA GLY 81 -7.230 9.271 -1.646 549 2HA GLY 81 2HA GLY 81 -8.977 9.048 -1.665 550 H ALA 82 H ALA 82 -9.292 8.108 0.946 551 HA ALA 82 HA ALA 82 -9.338 10.467 2.477 552 1HB ALA 82 1HB ALA 82 -9.565 7.587 3.349 553 2HB ALA 82 2HB ALA 82 -10.893 8.642 2.866 554 3HB ALA 82 3HB ALA 82 -9.982 8.991 4.336 555 H TYR 83 H TYR 83 -7.199 7.630 2.548 556 HA TYR 83 HA TYR 83 -5.604 8.548 4.698 557 2HB TYR 83 2HB TYR 83 -5.091 6.482 2.556 558 HD1 TYR 83 1HD TYR 83 -2.831 6.654 1.896 559 HD2 TYR 83 2HD TYR 83 -3.833 6.826 6.031 560 HE1 TYR 83 1HE TYR 83 -0.444 6.545 2.479 561 HE2 TYR 83 2HE TYR 83 -1.446 6.717 6.620 562 HH TYR 83 HH TYR 83 0.669 6.014 5.672 563 H LEU 84 H LEU 84 -5.250 8.827 1.181 564 HA LEU 84 HA LEU 84 -2.580 9.808 1.306 565 2HB LEU 84 2HB LEU 84 -3.711 10.580 -1.158 566 HG LEU 84 HG LEU 84 -2.604 8.457 -2.037 567 1HD1 LEU 84 1HD1 LEU 84 -0.921 10.335 -0.379 568 2HD1 LEU 84 2HD1 LEU 84 -1.522 10.674 -2.001 569 3HD1 LEU 84 3HD1 LEU 84 -0.370 9.363 -1.742 570 1HD2 LEU 84 1HD2 LEU 84 -1.672 8.284 0.820 571 2HD2 LEU 84 2HD2 LEU 84 -1.089 7.309 -0.528 572 3HD2 LEU 84 3HD2 LEU 84 -2.759 7.152 0.018 573 H SER 85 H SER 85 -4.999 11.315 2.592 574 HA SER 85 HA SER 85 -4.263 13.964 1.571 575 2HB SER 85 2HB SER 85 -6.280 14.788 2.655 576 HG SER 85 HG SER 85 -6.941 12.347 1.355 Start of MODEL 17 1 HA MET 1 HA MET 1 4.786 23.091 3.980 2 2HB MET 1 2HB MET 1 5.007 26.107 4.150 3 2HG MET 1 2HG MET 1 6.239 24.002 5.911 4 1HE MET 1 1HE MET 1 5.096 27.671 6.607 5 2HE MET 1 2HE MET 1 5.780 27.823 4.987 6 3HE MET 1 3HE MET 1 6.586 28.582 6.362 7 H ASN 2 H ASN 2 2.837 26.097 3.969 8 HA ASN 2 HA ASN 2 1.144 25.123 6.096 9 2HB ASN 2 2HB ASN 2 0.786 27.493 4.235 10 1HD2 ASN 2 1HD2 ASN 2 0.339 27.262 7.679 11 2HD2 ASN 2 2HD2 ASN 2 -1.372 27.558 7.675 12 H ASN 3 H ASN 3 0.494 26.097 2.748 13 HA ASN 3 HA ASN 3 -1.315 23.803 2.473 14 2HB ASN 3 2HB ASN 3 -0.893 26.237 0.707 15 1HD2 ASN 3 1HD2 ASN 3 -3.692 24.191 1.095 16 2HD2 ASN 3 2HD2 ASN 3 -3.759 23.640 -0.544 17 H GLN 4 H GLN 4 -0.877 22.215 0.951 18 HA GLN 4 HA GLN 4 0.400 20.795 -0.268 19 2HB GLN 4 2HB GLN 4 2.265 21.705 -1.656 20 2HG GLN 4 2HG GLN 4 -0.373 23.123 -1.764 21 1HE2 GLN 4 1HE2 GLN 4 0.438 25.120 -2.414 22 2HE2 GLN 4 2HE2 GLN 4 1.159 25.364 -3.968 23 H VAL 5 H VAL 5 1.257 19.426 1.039 24 HA VAL 5 HA VAL 5 3.399 20.307 2.854 25 HB VAL 5 HB VAL 5 2.524 18.535 4.388 26 1HG1 VAL 5 1HG1 VAL 5 0.578 20.686 3.554 27 2HG1 VAL 5 2HG1 VAL 5 1.909 20.875 4.698 28 3HG1 VAL 5 3HG1 VAL 5 0.547 19.826 5.097 29 1HG2 VAL 5 1HG2 VAL 5 1.405 17.120 2.768 30 2HG2 VAL 5 2HG2 VAL 5 0.305 18.434 2.346 31 3HG2 VAL 5 3HG2 VAL 5 0.230 17.700 3.951 32 H GLU 6 H GLU 6 4.339 18.140 3.855 33 HA GLU 6 HA GLU 6 5.823 16.962 1.716 34 2HB GLU 6 2HB GLU 6 6.903 17.531 3.803 35 2HG GLU 6 2HG GLU 6 5.415 15.346 5.192 36 HA PRO 7 HA PRO 7 3.281 13.678 0.781 37 2HB PRO 7 2HB PRO 7 4.802 13.365 -0.932 38 2HG PRO 7 2HG PRO 7 7.096 13.314 -0.521 39 2HD PRO 7 2HD PRO 7 6.602 15.327 0.487 40 H ARG 8 H ARG 8 2.447 11.635 1.247 41 HA ARG 8 HA ARG 8 3.282 10.529 3.813 42 2HB ARG 8 2HB ARG 8 1.131 9.180 3.535 43 2HG ARG 8 2HG ARG 8 0.997 12.182 3.633 44 2HD ARG 8 2HD ARG 8 -1.143 10.108 4.038 45 HE ARG 8 HE ARG 8 -1.159 11.717 5.945 46 1HH1 ARG 8 1HH1 ARG 8 -2.327 12.774 2.812 47 2HH1 ARG 8 2HH1 ARG 8 -3.495 13.866 3.475 48 1HH2 ARG 8 1HH2 ARG 8 -2.715 13.144 6.821 49 2HH2 ARG 8 2HH2 ARG 8 -3.720 14.080 5.750 50 H LYS 9 H LYS 9 2.538 7.879 3.573 51 HA LYS 9 HA LYS 9 3.979 6.861 1.263 52 2HB LYS 9 2HB LYS 9 4.880 6.301 4.089 53 2HG LYS 9 2HG LYS 9 5.938 5.246 1.480 54 2HD LYS 9 2HD LYS 9 6.985 4.822 4.272 55 2HE LYS 9 2HE LYS 9 8.063 3.975 1.589 56 1HZ LYS 9 1HZ LYS 9 9.531 2.582 3.055 57 2HZ LYS 9 2HZ LYS 9 9.038 3.560 4.353 58 3HZ LYS 9 3HZ LYS 9 9.862 4.245 3.039 59 H LEU 10 H LEU 10 3.381 4.898 0.625 60 HA LEU 10 HA LEU 10 1.536 3.366 2.338 61 2HB LEU 10 2HB LEU 10 0.798 2.354 0.114 62 HG LEU 10 HG LEU 10 0.206 5.286 0.516 63 1HD1 LEU 10 1HD1 LEU 10 -1.241 3.181 -1.081 64 2HD1 LEU 10 2HD1 LEU 10 -0.331 4.542 -1.739 65 3HD1 LEU 10 3HD1 LEU 10 -1.797 4.830 -0.801 66 1HD2 LEU 10 1HD2 LEU 10 -1.273 2.818 1.425 67 2HD2 LEU 10 2HD2 LEU 10 -1.804 4.485 1.644 68 3HD2 LEU 10 3HD2 LEU 10 -0.351 3.908 2.461 69 H VAL 11 H VAL 11 2.187 1.425 2.943 70 HA VAL 11 HA VAL 11 4.420 0.186 1.484 71 HB VAL 11 HB VAL 11 3.384 -0.314 4.278 72 1HG1 VAL 11 1HG1 VAL 11 5.086 -2.027 4.492 73 2HG1 VAL 11 2HG1 VAL 11 5.596 -1.762 2.824 74 3HG1 VAL 11 3HG1 VAL 11 3.997 -2.428 3.160 75 1HG2 VAL 11 1HG2 VAL 11 4.826 1.649 4.010 76 2HG2 VAL 11 2HG2 VAL 11 6.071 0.629 3.284 77 3HG2 VAL 11 3HG2 VAL 11 5.604 0.390 4.970 78 H VAL 12 H VAL 12 4.024 -1.515 0.263 79 HA VAL 12 HA VAL 12 1.386 -2.772 0.423 80 HB VAL 12 HB VAL 12 3.521 -2.993 -1.699 81 1HG1 VAL 12 1HG1 VAL 12 2.234 -5.047 -1.496 82 2HG1 VAL 12 2HG1 VAL 12 1.859 -4.208 -3.004 83 3HG1 VAL 12 3HG1 VAL 12 0.738 -4.128 -1.644 84 1HG2 VAL 12 1HG2 VAL 12 1.955 -1.754 -3.103 85 2HG2 VAL 12 2HG2 VAL 12 2.464 -0.821 -1.695 86 3HG2 VAL 12 3HG2 VAL 12 0.870 -1.578 -1.722 87 H TYR 13 H TYR 13 1.253 -4.497 1.674 88 HA TYR 13 HA TYR 13 3.613 -6.146 2.128 89 2HB TYR 13 2HB TYR 13 2.090 -7.369 3.746 90 HD1 TYR 13 1HD TYR 13 0.740 -4.417 4.942 91 HD2 TYR 13 2HD TYR 13 4.511 -6.282 4.310 92 HE1 TYR 13 1HE TYR 13 1.740 -2.978 6.669 93 HE2 TYR 13 2HE TYR 13 5.520 -4.847 6.030 94 HH TYR 13 HH TYR 13 5.040 -2.594 7.058 95 H GLY 14 H GLY 14 4.006 -7.853 0.978 96 1HA GLY 14 1HA GLY 14 1.790 -9.550 0.076 97 2HA GLY 14 2HA GLY 14 2.991 -9.026 -1.106 98 H ARG 15 H ARG 15 2.703 -11.757 -0.634 99 HA ARG 15 HA ARG 15 4.635 -12.503 1.395 100 2HB ARG 15 2HB ARG 15 3.959 -14.638 1.152 101 2HG ARG 15 2HG ARG 15 1.672 -13.231 -0.202 102 2HD ARG 15 2HD ARG 15 0.373 -15.171 0.072 103 HE ARG 15 HE ARG 15 3.007 -16.124 -0.897 104 1HH1 ARG 15 1HH1 ARG 15 -0.464 -15.770 -1.321 105 2HH1 ARG 15 2HH1 ARG 15 -0.444 -16.355 -2.959 106 1HH2 ARG 15 1HH2 ARG 15 3.030 -16.900 -3.020 107 2HH2 ARG 15 2HH2 ARG 15 1.542 -17.009 -3.924 108 H GLU 16 H GLU 16 4.421 -13.498 -2.015 109 HA GLU 16 HA GLU 16 7.259 -12.817 -2.321 110 2HB GLU 16 2HB GLU 16 7.601 -14.654 -3.738 111 2HG GLU 16 2HG GLU 16 6.787 -15.212 -1.234 112 H GLY 17 H GLY 17 4.750 -13.738 -4.655 113 1HA GLY 17 1HA GLY 17 4.601 -11.027 -5.692 114 2HA GLY 17 2HA GLY 17 5.326 -12.219 -6.766 115 H CYS 18 H CYS 18 2.905 -10.750 -7.235 116 HA CYS 18 HA CYS 18 1.193 -12.930 -7.927 117 2HB CYS 18 2HB CYS 18 0.146 -10.905 -5.932 118 HG CYS 18 HG CYS 18 -1.485 -13.759 -6.805 119 H HIS 19 H HIS 19 -0.282 -12.353 -9.530 120 HA HIS 19 HA HIS 19 0.384 -10.082 -11.057 121 2HB HIS 19 2HB HIS 19 -1.890 -10.658 -12.223 122 HD1 HIS 19 1HD HIS 19 -0.300 -10.517 -14.198 123 HD2 HIS 19 2HD HIS 19 0.312 -13.881 -11.825 124 HE1 HIS 19 1HE HIS 19 1.254 -12.006 -15.510 125 H LEU 20 H LEU 20 -2.183 -10.636 -8.706 126 HA LEU 20 HA LEU 20 -3.649 -8.288 -9.195 127 2HB LEU 20 2HB LEU 20 -3.994 -8.653 -6.521 128 HG LEU 20 HG LEU 20 -5.778 -10.384 -7.116 129 1HD1 LEU 20 1HD1 LEU 20 -5.766 -7.720 -8.532 130 2HD1 LEU 20 2HD1 LEU 20 -6.284 -8.015 -6.873 131 3HD1 LEU 20 3HD1 LEU 20 -7.195 -8.705 -8.217 132 1HD2 LEU 20 1HD2 LEU 20 -4.757 -11.275 -9.124 133 2HD2 LEU 20 2HD2 LEU 20 -4.810 -9.681 -9.882 134 3HD2 LEU 20 3HD2 LEU 20 -6.309 -10.537 -9.517 135 H CYS 21 H CYS 21 -0.728 -8.873 -7.367 136 HA CYS 21 HA CYS 21 -0.626 -6.340 -6.089 137 2HB CYS 21 2HB CYS 21 1.679 -8.161 -6.827 138 HG CYS 21 HG CYS 21 2.103 -5.302 -5.809 139 H GLU 22 H GLU 22 0.680 -7.633 -9.110 140 HA GLU 22 HA GLU 22 2.044 -5.323 -9.949 141 2HB GLU 22 2HB GLU 22 1.682 -6.352 -12.273 142 2HG GLU 22 2HG GLU 22 3.086 -8.364 -11.790 143 H GLU 23 H GLU 23 -1.298 -6.400 -10.467 144 HA GLU 23 HA GLU 23 -2.128 -4.329 -12.168 145 2HB GLU 23 2HB GLU 23 -4.400 -4.848 -11.440 146 2HG GLU 23 2HG GLU 23 -4.521 -7.220 -11.834 147 H MET 24 H MET 24 -2.229 -4.595 -8.628 148 HA MET 24 HA MET 24 -3.238 -2.020 -8.114 149 2HB MET 24 2HB MET 24 -2.162 -2.280 -5.851 150 2HG MET 24 2HG MET 24 -3.687 -4.712 -6.724 151 1HE MET 24 1HE MET 24 -4.318 -2.101 -3.875 152 2HE MET 24 2HE MET 24 -2.558 -2.210 -3.885 153 3HE MET 24 3HE MET 24 -3.475 -2.833 -2.510 154 H ILE 25 H ILE 25 0.140 -3.147 -8.234 155 HA ILE 25 HA ILE 25 1.358 -0.740 -7.558 156 HB ILE 25 HB ILE 25 2.358 -2.967 -9.330 157 2HG1 ILE 25 2HG1 ILE 25 1.937 -3.520 -6.957 158 1HG2 ILE 25 1HG2 ILE 25 3.517 -0.909 -9.930 159 2HG2 ILE 25 2HG2 ILE 25 4.598 -2.010 -9.077 160 3HG2 ILE 25 3HG2 ILE 25 3.913 -0.619 -8.235 161 1HD1 ILE 25 1HD1 ILE 25 3.819 -4.643 -8.022 162 2HD1 ILE 25 2HD1 ILE 25 4.117 -4.348 -6.308 163 3HD1 ILE 25 3HD1 ILE 25 4.882 -3.327 -7.526 164 H ALA 26 H ALA 26 0.451 -1.929 -10.793 165 HA ALA 26 HA ALA 26 1.462 0.231 -12.270 166 1HB ALA 26 1HB ALA 26 0.713 -1.877 -13.272 167 2HB ALA 26 2HB ALA 26 -0.038 -0.478 -14.040 168 3HB ALA 26 3HB ALA 26 -0.957 -1.458 -12.895 169 H SER 27 H SER 27 -1.599 -0.203 -10.602 170 HA SER 27 HA SER 27 -2.804 2.201 -11.514 171 2HB SER 27 2HB SER 27 -4.412 1.790 -9.668 172 HG SER 27 HG SER 27 -3.795 -0.725 -10.790 173 H LEU 28 H LEU 28 -0.825 1.338 -8.727 174 HA LEU 28 HA LEU 28 -1.094 3.750 -7.303 175 2HB LEU 28 2HB LEU 28 0.955 3.082 -6.130 176 HG LEU 28 HG LEU 28 -0.748 0.646 -6.627 177 1HD1 LEU 28 1HD1 LEU 28 1.060 1.391 -4.340 178 2HD1 LEU 28 2HD1 LEU 28 1.350 0.126 -5.532 179 3HD1 LEU 28 3HD1 LEU 28 0.009 -0.024 -4.396 180 1HD2 LEU 28 1HD2 LEU 28 -1.045 2.819 -4.557 181 2HD2 LEU 28 2HD2 LEU 28 -2.029 1.361 -4.682 182 3HD2 LEU 28 3HD2 LEU 28 -2.095 2.580 -5.953 183 H ARG 29 H ARG 29 1.142 2.733 -9.831 184 HA ARG 29 HA ARG 29 2.953 4.864 -9.683 185 2HB ARG 29 2HB ARG 29 3.573 4.287 -11.979 186 2HG ARG 29 2HG ARG 29 4.016 1.913 -11.778 187 2HD ARG 29 2HD ARG 29 4.490 2.225 -9.038 188 HE ARG 29 HE ARG 29 6.106 1.660 -10.961 189 1HH1 ARG 29 1HH1 ARG 29 6.041 4.727 -9.248 190 2HH1 ARG 29 2HH1 ARG 29 7.739 5.021 -9.487 191 1HH2 ARG 29 1HH2 ARG 29 8.314 2.054 -11.247 192 2HH2 ARG 29 2HH2 ARG 29 9.024 3.509 -10.611 193 H VAL 30 H VAL 30 -0.120 4.548 -11.356 194 HA VAL 30 HA VAL 30 0.039 7.043 -12.721 195 HB VAL 30 HB VAL 30 -2.415 5.414 -12.023 196 1HG1 VAL 30 1HG1 VAL 30 -2.012 7.565 -14.104 197 2HG1 VAL 30 2HG1 VAL 30 -2.956 7.719 -12.623 198 3HG1 VAL 30 3HG1 VAL 30 -3.473 6.601 -13.885 199 1HG2 VAL 30 1HG2 VAL 30 -0.705 5.408 -14.509 200 2HG2 VAL 30 2HG2 VAL 30 -2.210 4.514 -14.294 201 3HG2 VAL 30 3HG2 VAL 30 -0.801 4.116 -13.309 202 H LEU 31 H LEU 31 -1.333 5.985 -9.645 203 HA LEU 31 HA LEU 31 -2.538 8.461 -8.980 204 2HB LEU 31 2HB LEU 31 -2.072 7.418 -6.556 205 HG LEU 31 HG LEU 31 -4.125 6.198 -8.402 206 1HD1 LEU 31 1HD1 LEU 31 -3.828 4.989 -6.311 207 2HD1 LEU 31 2HD1 LEU 31 -5.373 5.841 -6.325 208 3HD1 LEU 31 3HD1 LEU 31 -4.014 6.491 -5.404 209 1HD2 LEU 31 1HD2 LEU 31 -4.278 8.620 -8.470 210 2HD2 LEU 31 2HD2 LEU 31 -4.256 8.692 -6.708 211 3HD2 LEU 31 3HD2 LEU 31 -5.623 7.953 -7.546 212 H GLN 32 H GLN 32 0.695 7.185 -8.554 213 HA GLN 32 HA GLN 32 1.688 9.042 -6.717 214 2HB GLN 32 2HB GLN 32 3.932 8.499 -7.744 215 2HG GLN 32 2HG GLN 32 2.158 6.148 -7.111 216 1HE2 GLN 32 1HE2 GLN 32 4.226 5.301 -5.251 217 2HE2 GLN 32 2HE2 GLN 32 5.459 4.563 -6.213 218 H LYS 33 H LYS 33 0.865 9.431 -10.027 219 HA LYS 33 HA LYS 33 2.421 11.767 -10.539 220 2HB LYS 33 2HB LYS 33 0.954 12.047 -12.484 221 2HG LYS 33 2HG LYS 33 1.557 9.121 -12.231 222 2HD LYS 33 2HD LYS 33 2.096 9.356 -14.599 223 2HE LYS 33 2HE LYS 33 -0.606 10.490 -13.878 224 1HZ LYS 33 1HZ LYS 33 -1.311 9.586 -16.001 225 2HZ LYS 33 2HZ LYS 33 0.283 9.131 -16.365 226 3HZ LYS 33 3HZ LYS 33 -0.118 10.774 -16.224 227 H LYS 34 H LYS 34 -0.740 11.124 -9.181 228 HA LYS 34 HA LYS 34 -1.416 13.967 -9.158 229 2HB LYS 34 2HB LYS 34 -3.578 13.135 -8.125 230 2HG LYS 34 2HG LYS 34 -3.277 13.493 -10.629 231 2HD LYS 34 2HD LYS 34 -3.151 10.481 -10.511 232 2HE LYS 34 2HE LYS 34 -3.312 10.583 -12.974 233 1HZ LYS 34 1HZ LYS 34 -5.615 11.666 -11.443 234 2HZ LYS 34 2HZ LYS 34 -5.331 10.053 -11.885 235 3HZ LYS 34 3HZ LYS 34 -5.724 11.206 -13.073 236 H SER 35 H SER 35 -0.688 11.310 -6.998 237 HA SER 35 HA SER 35 -0.152 13.189 -4.841 238 2HB SER 35 2HB SER 35 -1.530 11.944 -3.249 239 HG SER 35 HG SER 35 -2.464 13.420 -5.230 240 H TRP 36 H TRP 36 1.886 12.676 -4.268 241 HA TRP 36 HA TRP 36 2.946 10.065 -4.804 242 2HB TRP 36 2HB TRP 36 4.260 12.347 -3.315 243 HD1 TRP 36 HD TRP 36 5.975 10.944 -1.888 244 HE1 TRP 36 1HE TRP 36 7.873 9.294 -2.487 245 HE3 TRP 36 3HE TRP 36 4.927 10.270 -6.853 246 HZ2 TRP 36 2HZ TRP 36 8.774 7.895 -4.748 247 HZ3 TRP 36 3HZ TRP 36 6.362 8.750 -8.160 248 HH2 TRP 36 HH TRP 36 8.246 7.590 -7.130 249 H PHE 37 H PHE 37 3.060 8.408 -3.489 250 HA PHE 37 HA PHE 37 2.972 8.840 -0.596 251 2HB PHE 37 2HB PHE 37 0.740 8.220 -0.945 252 HD1 PHE 37 1HD PHE 37 2.346 5.242 -2.557 253 HD2 PHE 37 2HD PHE 37 -0.600 8.311 -2.804 254 HE1 PHE 37 1HE PHE 37 1.468 4.234 -4.618 255 HE2 PHE 37 2HE PHE 37 -1.472 7.303 -4.869 256 HZ PHE 37 HZ PHE 37 -0.439 5.264 -5.778 257 H GLU 38 H GLU 38 5.046 8.138 -2.642 258 HA GLU 38 HA GLU 38 6.808 6.724 -2.925 259 2HB GLU 38 2HB GLU 38 7.459 5.361 -0.881 260 2HG GLU 38 2HG GLU 38 7.665 7.456 0.643 261 H LEU 39 H LEU 39 7.424 4.228 -2.600 262 HA LEU 39 HA LEU 39 5.105 2.519 -2.468 263 2HB LEU 39 2HB LEU 39 6.854 2.344 -4.917 264 HG LEU 39 HG LEU 39 5.820 0.253 -4.750 265 1HD1 LEU 39 1HD1 LEU 39 3.292 1.665 -3.894 266 2HD1 LEU 39 2HD1 LEU 39 4.378 0.762 -2.836 267 3HD1 LEU 39 3HD1 LEU 39 3.485 -0.077 -4.105 268 1HD2 LEU 39 1HD2 LEU 39 5.411 1.318 -6.918 269 2HD2 LEU 39 2HD2 LEU 39 3.897 1.983 -6.303 270 3HD2 LEU 39 3HD2 LEU 39 4.088 0.237 -6.473 271 H GLU 40 H GLU 40 5.721 1.185 -0.942 272 HA GLU 40 HA GLU 40 8.410 -0.011 -1.142 273 2HB GLU 40 2HB GLU 40 6.837 0.476 1.397 274 2HG GLU 40 2HG GLU 40 9.657 -0.445 0.936 275 H VAL 41 H VAL 41 8.308 -2.090 -1.646 276 HA VAL 41 HA VAL 41 5.878 -3.597 -0.947 277 HB VAL 41 HB VAL 41 7.970 -4.275 -3.030 278 1HG1 VAL 41 1HG1 VAL 41 5.300 -5.541 -2.430 279 2HG1 VAL 41 2HG1 VAL 41 6.879 -6.242 -2.090 280 3HG1 VAL 41 3HG1 VAL 41 6.371 -5.980 -3.758 281 1HG2 VAL 41 1HG2 VAL 41 6.668 -2.296 -3.650 282 2HG2 VAL 41 2HG2 VAL 41 5.175 -3.192 -3.382 283 3HG2 VAL 41 3HG2 VAL 41 6.270 -3.669 -4.680 284 H ILE 42 H ILE 42 6.106 -4.775 0.820 285 HA ILE 42 HA ILE 42 8.779 -5.822 1.470 286 HB ILE 42 HB ILE 42 6.500 -5.183 3.348 287 2HG1 ILE 42 2HG1 ILE 42 7.612 -3.202 2.398 288 1HG2 ILE 42 1HG2 ILE 42 8.122 -5.654 5.134 289 2HG2 ILE 42 2HG2 ILE 42 9.293 -6.170 3.921 290 3HG2 ILE 42 3HG2 ILE 42 7.799 -7.077 4.144 291 1HD1 ILE 42 1HD1 ILE 42 8.343 -2.086 4.395 292 2HD1 ILE 42 2HD1 ILE 42 8.524 -3.633 5.226 293 3HD1 ILE 42 3HD1 ILE 42 6.923 -3.073 4.744 294 H ASN 43 H ASN 43 8.986 -7.909 1.118 295 HA ASN 43 HA ASN 43 6.745 -9.653 0.809 296 2HB ASN 43 2HB ASN 43 8.550 -11.430 0.603 297 1HD2 ASN 43 1HD2 ASN 43 7.438 -11.655 -1.226 298 2HD2 ASN 43 2HD2 ASN 43 7.724 -10.739 -2.666 299 H ILE 44 H ILE 44 5.661 -10.500 2.421 300 HA ILE 44 HA ILE 44 6.752 -10.719 5.068 301 HB ILE 44 HB ILE 44 4.616 -11.523 5.764 302 2HG1 ILE 44 2HG1 ILE 44 4.318 -13.220 3.955 303 1HG2 ILE 44 1HG2 ILE 44 4.690 -9.158 5.144 304 2HG2 ILE 44 2HG2 ILE 44 3.091 -9.848 4.850 305 3HG2 ILE 44 3HG2 ILE 44 4.194 -9.580 3.502 306 1HD1 ILE 44 1HD1 ILE 44 1.913 -13.058 3.676 307 2HD1 ILE 44 2HD1 ILE 44 1.950 -11.383 4.232 308 3HD1 ILE 44 3HD1 ILE 44 2.379 -12.689 5.335 309 H ASP 45 H ASP 45 6.084 -12.839 2.391 310 HA ASP 45 HA ASP 45 6.151 -15.120 2.155 311 2HB ASP 45 2HB ASP 45 8.994 -14.510 2.965 312 H GLY 46 H GLY 46 8.716 -15.369 4.509 313 1HA GLY 46 1HA GLY 46 6.913 -17.038 6.151 314 2HA GLY 46 2HA GLY 46 8.557 -17.520 5.765 315 H ASN 47 H ASN 47 7.598 -14.248 6.578 316 HA ASN 47 HA ASN 47 9.385 -14.280 8.865 317 2HB ASN 47 2HB ASN 47 7.647 -12.067 7.745 318 1HD2 ASN 47 1HD2 ASN 47 10.865 -11.782 8.981 319 2HD2 ASN 47 2HD2 ASN 47 10.471 -10.863 10.395 320 H GLU 48 H GLU 48 8.722 -14.879 10.804 321 HA GLU 48 HA GLU 48 6.145 -15.759 11.336 322 2HB GLU 48 2HB GLU 48 6.907 -15.815 13.736 323 2HG GLU 48 2HG GLU 48 8.882 -17.317 13.327 324 H HIS 49 H HIS 49 7.426 -12.523 11.681 325 HA HIS 49 HA HIS 49 5.336 -11.687 13.481 326 2HB HIS 49 2HB HIS 49 6.118 -9.355 12.867 327 HD1 HIS 49 1HD HIS 49 6.340 -9.801 15.485 328 HD2 HIS 49 2HD HIS 49 9.595 -10.934 13.150 329 HE1 HIS 49 1HE HIS 49 8.264 -10.084 17.083 330 H LEU 50 H LEU 50 6.061 -11.002 10.050 331 HA LEU 50 HA LEU 50 3.569 -9.608 9.775 332 2HB LEU 50 2HB LEU 50 4.257 -9.324 7.407 333 HG LEU 50 HG LEU 50 6.567 -8.674 9.228 334 1HD1 LEU 50 1HD1 LEU 50 6.867 -6.790 7.733 335 2HD1 LEU 50 2HD1 LEU 50 5.470 -7.302 6.788 336 3HD1 LEU 50 3HD1 LEU 50 6.921 -8.308 6.837 337 1HD2 LEU 50 1HD2 LEU 50 3.988 -7.160 8.842 338 2HD2 LEU 50 2HD2 LEU 50 5.403 -6.566 9.706 339 3HD2 LEU 50 3HD2 LEU 50 4.516 -7.960 10.322 340 H THR 51 H THR 51 4.800 -12.755 8.705 341 HA THR 51 HA THR 51 2.718 -13.354 6.929 342 HB THR 51 HB THR 51 4.360 -15.268 8.595 343 HG1 THR 51 1HG THR 51 5.078 -15.121 6.006 344 1HG2 THR 51 1HG2 THR 51 3.835 -16.919 6.870 345 2HG2 THR 51 2HG2 THR 51 2.818 -15.742 6.039 346 3HG2 THR 51 3HG2 THR 51 2.363 -16.329 7.639 347 H ARG 52 H ARG 52 3.068 -14.126 10.376 348 HA ARG 52 HA ARG 52 0.622 -15.505 10.601 349 2HB ARG 52 2HB ARG 52 0.901 -15.191 13.051 350 2HG ARG 52 2HG ARG 52 3.510 -15.902 11.730 351 2HD ARG 52 2HD ARG 52 2.255 -16.883 14.292 352 HE ARG 52 HE ARG 52 4.754 -17.633 12.942 353 1HH1 ARG 52 1HH1 ARG 52 2.579 -17.981 15.676 354 2HH1 ARG 52 2HH1 ARG 52 3.431 -19.348 16.341 355 1HH2 ARG 52 1HH2 ARG 52 5.854 -19.446 13.797 356 2HH2 ARG 52 2HH2 ARG 52 5.258 -20.212 15.249 357 H LEU 53 H LEU 53 1.438 -12.131 10.698 358 HA LEU 53 HA LEU 53 -1.070 -11.274 11.815 359 2HB LEU 53 2HB LEU 53 -0.213 -8.992 11.020 360 HG LEU 53 HG LEU 53 1.471 -10.559 12.974 361 1HD1 LEU 53 1HD1 LEU 53 1.406 -7.593 12.418 362 2HD1 LEU 53 2HD1 LEU 53 2.749 -8.684 12.071 363 3HD1 LEU 53 3HD1 LEU 53 2.274 -8.373 13.741 364 1HD2 LEU 53 1HD2 LEU 53 -0.717 -8.523 13.364 365 2HD2 LEU 53 2HD2 LEU 53 0.183 -9.346 14.641 366 3HD2 LEU 53 3HD2 LEU 53 -0.891 -10.264 13.583 367 H TYR 54 H TYR 54 0.381 -11.259 8.541 368 HA TYR 54 HA TYR 54 -2.075 -9.943 7.578 369 2HB TYR 54 2HB TYR 54 -0.629 -9.185 5.663 370 HD1 TYR 54 1HD TYR 54 1.524 -8.867 8.635 371 HD2 TYR 54 2HD TYR 54 -1.592 -7.105 6.336 372 HE1 TYR 54 1HE TYR 54 1.826 -6.760 9.862 373 HE2 TYR 54 2HE TYR 54 -1.305 -4.991 7.554 374 HH TYR 54 HH TYR 54 1.374 -4.354 9.535 375 H ASN 55 H ASN 55 -0.775 -13.025 7.468 376 HA ASN 55 HA ASN 55 -0.995 -13.471 4.648 377 2HB ASN 55 2HB ASN 55 -1.075 -15.629 6.747 378 1HD2 ASN 55 1HD2 ASN 55 -0.590 -17.642 5.966 379 2HD2 ASN 55 2HD2 ASN 55 -0.512 -18.007 4.281 380 H ASP 56 H ASP 56 -3.005 -12.748 4.052 381 HA ASP 56 HA ASP 56 -5.127 -14.733 4.457 382 2HB ASP 56 2HB ASP 56 -5.465 -11.723 4.588 383 H ARG 57 H ARG 57 -5.363 -11.703 2.725 384 HA ARG 57 HA ARG 57 -4.605 -12.940 0.194 385 2HB ARG 57 2HB ARG 57 -6.491 -12.032 -1.004 386 2HG ARG 57 2HG ARG 57 -7.829 -13.127 1.441 387 2HD ARG 57 2HD ARG 57 -9.034 -12.348 -0.706 388 HE ARG 57 HE ARG 57 -7.866 -13.444 -2.451 389 1HH1 ARG 57 1HH1 ARG 57 -9.523 -15.625 -0.270 390 2HH1 ARG 57 2HH1 ARG 57 -9.437 -16.986 -1.354 391 1HH2 ARG 57 1HH2 ARG 57 -7.765 -15.224 -3.890 392 2HH2 ARG 57 2HH2 ARG 57 -8.440 -16.750 -3.414 393 H VAL 58 H VAL 58 -2.719 -11.784 0.334 394 HA VAL 58 HA VAL 58 -2.464 -9.620 1.974 395 HB VAL 58 HB VAL 58 -0.256 -9.417 0.304 396 1HG1 VAL 58 1HG1 VAL 58 -0.268 -9.304 2.734 397 2HG1 VAL 58 2HG1 VAL 58 0.896 -10.503 2.173 398 3HG1 VAL 58 3HG1 VAL 58 -0.659 -11.023 2.826 399 1HG2 VAL 58 1HG2 VAL 58 0.526 -11.698 0.029 400 2HG2 VAL 58 2HG2 VAL 58 -0.985 -11.472 -0.853 401 3HG2 VAL 58 3HG2 VAL 58 -0.983 -12.322 0.693 402 HA PRO 59 HA PRO 59 -0.445 -7.089 -1.343 403 2HB PRO 59 2HB PRO 59 -1.047 -6.661 -3.525 404 2HG PRO 59 2HG PRO 59 -1.007 -8.880 -3.953 405 2HD PRO 59 2HD PRO 59 -0.865 -9.940 -1.955 406 H VAL 60 H VAL 60 -0.849 -6.077 0.723 407 HA VAL 60 HA VAL 60 -3.328 -4.526 0.969 408 HB VAL 60 HB VAL 60 -1.656 -4.419 3.318 409 1HG1 VAL 60 1HG1 VAL 60 -3.651 -5.185 4.434 410 2HG1 VAL 60 2HG1 VAL 60 -4.352 -5.695 2.897 411 3HG1 VAL 60 3HG1 VAL 60 -4.077 -3.980 3.216 412 1HG2 VAL 60 1HG2 VAL 60 -0.744 -6.546 2.573 413 2HG2 VAL 60 2HG2 VAL 60 -2.373 -7.196 2.389 414 3HG2 VAL 60 3HG2 VAL 60 -1.770 -6.767 3.990 415 H LEU 61 H LEU 61 -3.328 -2.359 0.891 416 HA LEU 61 HA LEU 61 -0.801 -0.933 0.867 417 2HB LEU 61 2HB LEU 61 -2.319 1.087 0.606 418 HG LEU 61 HG LEU 61 -2.716 -1.046 -1.491 419 1HD1 LEU 61 1HD1 LEU 61 -3.009 0.867 -3.001 420 2HD1 LEU 61 2HD1 LEU 61 -2.917 1.958 -1.618 421 3HD1 LEU 61 3HD1 LEU 61 -4.249 0.810 -1.749 422 1HD2 LEU 61 1HD2 LEU 61 -0.524 0.994 -1.122 423 2HD2 LEU 61 2HD2 LEU 61 -0.772 0.043 -2.585 424 3HD2 LEU 61 3HD2 LEU 61 -0.355 -0.764 -1.072 425 H PHE 62 H PHE 62 0.103 -0.708 2.761 426 HA PHE 62 HA PHE 62 -1.485 -0.258 5.156 427 2HB PHE 62 2HB PHE 62 1.477 -0.681 4.699 428 HD1 PHE 62 1HD PHE 62 2.599 0.740 6.167 429 HD2 PHE 62 2HD PHE 62 -0.744 -1.503 7.540 430 HE1 PHE 62 1HE PHE 62 3.121 1.390 8.481 431 HE2 PHE 62 2HE PHE 62 -0.232 -0.859 9.856 432 HZ PHE 62 HZ PHE 62 1.700 0.593 10.330 433 H ALA 63 H ALA 63 -1.899 1.701 5.879 434 HA ALA 63 HA ALA 63 -0.760 4.022 4.625 435 1HB ALA 63 1HB ALA 63 -3.117 3.955 5.265 436 2HB ALA 63 2HB ALA 63 -2.269 5.281 6.065 437 3HB ALA 63 3HB ALA 63 -2.654 3.809 6.959 438 H VAL 64 H VAL 64 1.348 4.309 5.140 439 HA VAL 64 HA VAL 64 2.442 3.946 7.739 440 HB VAL 64 HB VAL 64 3.494 5.616 5.438 441 1HG1 VAL 64 1HG1 VAL 64 4.949 4.442 7.800 442 2HG1 VAL 64 2HG1 VAL 64 4.629 6.153 7.517 443 3HG1 VAL 64 3HG1 VAL 64 5.701 5.265 6.434 444 1HG2 VAL 64 1HG2 VAL 64 4.794 3.645 4.822 445 2HG2 VAL 64 2HG2 VAL 64 3.065 3.304 4.774 446 3HG2 VAL 64 3HG2 VAL 64 4.041 2.731 6.128 447 H ASN 65 H ASN 65 3.347 5.745 9.085 448 HA ASN 65 HA ASN 65 3.282 7.759 10.150 449 2HB ASN 65 2HB ASN 65 1.771 9.627 9.168 450 1HD2 ASN 65 1HD2 ASN 65 3.470 8.172 6.513 451 2HD2 ASN 65 2HD2 ASN 65 4.882 9.168 6.606 452 H GLU 66 H GLU 66 0.069 6.753 8.967 453 HA GLU 66 HA GLU 66 -1.020 7.344 11.615 454 2HB GLU 66 2HB GLU 66 -3.202 6.613 10.585 455 2HG GLU 66 2HG GLU 66 -1.957 8.742 8.885 456 H ASP 67 H ASP 67 -0.001 4.733 9.633 457 HA ASP 67 HA ASP 67 0.300 2.535 9.954 458 2HB ASP 67 2HB ASP 67 0.509 1.720 12.328 459 H LYS 68 H LYS 68 -1.637 2.111 8.861 460 HA LYS 68 HA LYS 68 -3.368 0.376 10.314 461 2HB LYS 68 2HB LYS 68 -4.412 2.548 10.872 462 2HG LYS 68 2HG LYS 68 -4.950 2.801 7.920 463 2HD LYS 68 2HD LYS 68 -5.634 4.655 10.196 464 2HE LYS 68 2HE LYS 68 -6.477 4.649 7.302 465 1HZ LYS 68 1HZ LYS 68 -7.654 6.587 7.765 466 2HZ LYS 68 2HZ LYS 68 -6.915 6.808 9.271 467 3HZ LYS 68 3HZ LYS 68 -8.053 5.566 9.061 468 H GLU 69 H GLU 69 -5.073 -0.553 8.821 469 HA GLU 69 HA GLU 69 -3.830 -0.989 6.206 470 2HB GLU 69 2HB GLU 69 -5.375 -2.929 6.077 471 2HG GLU 69 2HG GLU 69 -3.629 -2.677 8.495 472 H LEU 70 H LEU 70 -4.664 -0.186 4.364 473 HA LEU 70 HA LEU 70 -7.236 1.220 4.553 474 2HB LEU 70 2HB LEU 70 -6.590 2.349 2.482 475 HG LEU 70 HG LEU 70 -4.262 2.487 4.394 476 1HD1 LEU 70 1HD1 LEU 70 -3.994 4.729 3.443 477 2HD1 LEU 70 2HD1 LEU 70 -5.305 4.395 2.306 478 3HD1 LEU 70 3HD1 LEU 70 -3.808 3.464 2.225 479 1HD2 LEU 70 1HD2 LEU 70 -6.804 4.110 4.337 480 2HD2 LEU 70 2HD2 LEU 70 -5.432 4.350 5.421 481 3HD2 LEU 70 3HD2 LEU 70 -6.402 2.880 5.535 482 H CYS 71 H CYS 71 -5.619 -0.203 1.763 483 HA CYS 71 HA CYS 71 -8.096 -1.601 1.062 484 2HB CYS 71 2HB CYS 71 -6.610 0.414 -0.638 485 HG CYS 71 HG CYS 71 -9.422 -1.193 -1.696 486 H HIS 72 H HIS 72 -7.815 -3.374 -0.329 487 HA HIS 72 HA HIS 72 -5.129 -3.914 -1.302 488 2HB HIS 72 2HB HIS 72 -5.279 -4.938 0.974 489 HD1 HIS 72 1HD HIS 72 -5.933 -8.200 0.438 490 HD2 HIS 72 2HD HIS 72 -8.501 -4.985 1.064 491 HE1 HIS 72 1HE HIS 72 -8.071 -9.199 1.306 492 H TYR 73 H TYR 73 -5.033 -5.659 -2.832 493 HA TYR 73 HA TYR 73 -5.752 -7.255 -4.271 494 2HB TYR 73 2HB TYR 73 -8.610 -7.027 -4.197 495 HD1 TYR 73 1HD TYR 73 -5.819 -8.915 -2.562 496 HD2 TYR 73 2HD TYR 73 -9.348 -9.079 -4.929 497 HE1 TYR 73 1HE TYR 73 -5.559 -11.352 -2.775 498 HE2 TYR 73 2HE TYR 73 -9.098 -11.512 -5.145 499 HH TYR 73 HH TYR 73 -7.378 -13.209 -5.007 500 H PHE 74 H PHE 74 -8.449 -4.871 -4.564 501 HA PHE 74 HA PHE 74 -7.714 -4.807 -7.423 502 2HB PHE 74 2HB PHE 74 -10.223 -4.278 -7.730 503 HD1 PHE 74 1HD PHE 74 -9.124 -5.820 -9.444 504 HD2 PHE 74 2HD PHE 74 -10.586 -7.168 -5.682 505 HE1 PHE 74 1HE PHE 74 -9.232 -8.121 -10.312 506 HE2 PHE 74 2HE PHE 74 -10.690 -9.467 -6.543 507 HZ PHE 74 HZ PHE 74 -10.015 -9.947 -8.861 508 H LEU 75 H LEU 75 -7.694 -2.927 -4.773 509 HA LEU 75 HA LEU 75 -7.354 -0.713 -4.424 510 2HB LEU 75 2HB LEU 75 -7.436 -0.357 -7.411 511 HG LEU 75 HG LEU 75 -7.362 1.703 -5.893 512 1HD1 LEU 75 1HD1 LEU 75 -4.553 0.711 -5.472 513 2HD1 LEU 75 2HD1 LEU 75 -5.827 0.715 -4.249 514 3HD1 LEU 75 3HD1 LEU 75 -5.228 2.241 -4.909 515 1HD2 LEU 75 1HD2 LEU 75 -5.725 2.808 -7.312 516 2HD2 LEU 75 2HD2 LEU 75 -6.765 1.742 -8.256 517 3HD2 LEU 75 3HD2 LEU 75 -5.123 1.242 -7.853 518 H ASP 76 H ASP 76 -9.070 0.128 -3.459 519 HA ASP 76 HA ASP 76 -11.594 0.437 -4.811 520 2HB ASP 76 2HB ASP 76 -12.271 1.548 -2.639 521 H SER 77 H SER 77 -8.799 2.334 -4.317 522 HA SER 77 HA SER 77 -8.160 4.391 -4.998 523 2HB SER 77 2HB SER 77 -9.530 5.652 -6.616 524 HG SER 77 HG SER 77 -9.066 4.279 -8.158 525 H ASP 78 H ASP 78 -11.599 4.498 -4.035 526 HA ASP 78 HA ASP 78 -11.581 7.149 -3.132 527 2HB ASP 78 2HB ASP 78 -13.657 6.576 -1.936 528 H VAL 79 H VAL 79 -11.052 4.145 -1.325 529 HA VAL 79 HA VAL 79 -10.979 5.301 1.228 530 HB VAL 79 HB VAL 79 -9.714 2.749 0.235 531 1HG1 VAL 79 1HG1 VAL 79 -10.131 3.708 3.067 532 2HG1 VAL 79 2HG1 VAL 79 -8.580 3.434 2.275 533 3HG1 VAL 79 3HG1 VAL 79 -9.653 2.074 2.616 534 1HG2 VAL 79 1HG2 VAL 79 -12.115 2.787 0.002 535 2HG2 VAL 79 2HG2 VAL 79 -12.292 3.357 1.661 536 3HG2 VAL 79 3HG2 VAL 79 -11.684 1.729 1.346 537 H ILE 80 H ILE 80 -8.290 4.573 -1.011 538 HA ILE 80 HA ILE 80 -6.339 5.605 0.799 539 HB ILE 80 HB ILE 80 -5.566 4.020 -0.831 540 2HG1 ILE 80 2HG1 ILE 80 -4.502 6.784 -1.433 541 1HG2 ILE 80 1HG2 ILE 80 -5.560 4.441 -3.199 542 2HG2 ILE 80 2HG2 ILE 80 -6.345 5.999 -2.944 543 3HG2 ILE 80 3HG2 ILE 80 -7.207 4.504 -2.574 544 1HD1 ILE 80 1HD1 ILE 80 -4.332 6.234 0.913 545 2HD1 ILE 80 2HD1 ILE 80 -2.744 6.238 0.141 546 3HD1 ILE 80 3HD1 ILE 80 -3.549 4.709 0.508 547 H GLY 81 H GLY 81 -8.241 6.926 -1.858 548 1HA GLY 81 1HA GLY 81 -6.992 9.439 -2.045 549 2HA GLY 81 2HA GLY 81 -8.675 9.109 -2.436 550 H ALA 82 H ALA 82 -9.436 8.211 0.155 551 HA ALA 82 HA ALA 82 -10.062 10.639 1.439 552 1HB ALA 82 1HB ALA 82 -11.491 8.672 1.598 553 2HB ALA 82 2HB ALA 82 -11.003 9.205 3.206 554 3HB ALA 82 3HB ALA 82 -10.228 7.801 2.468 555 H TYR 83 H TYR 83 -7.485 8.321 1.878 556 HA TYR 83 HA TYR 83 -6.563 9.572 4.328 557 2HB TYR 83 2HB TYR 83 -5.721 7.179 2.726 558 HD1 TYR 83 1HD TYR 83 -3.440 7.290 2.141 559 HD2 TYR 83 2HD TYR 83 -4.628 8.259 6.116 560 HE1 TYR 83 1HE TYR 83 -1.086 7.325 2.827 561 HE2 TYR 83 2HE TYR 83 -2.266 8.299 6.811 562 HH TYR 83 HH TYR 83 -0.094 7.387 6.069 563 H LEU 84 H LEU 84 -5.467 9.228 0.978 564 HA LEU 84 HA LEU 84 -2.925 10.404 1.440 565 2HB LEU 84 2HB LEU 84 -3.773 10.585 -1.309 566 HG LEU 84 HG LEU 84 -2.063 8.812 -1.681 567 1HD1 LEU 84 1HD1 LEU 84 -1.085 11.090 0.039 568 2HD1 LEU 84 2HD1 LEU 84 -1.515 11.241 -1.661 569 3HD1 LEU 84 3HD1 LEU 84 -0.166 10.212 -1.184 570 1HD2 LEU 84 1HD2 LEU 84 -0.636 8.146 0.162 571 2HD2 LEU 84 2HD2 LEU 84 -2.305 7.640 0.434 572 3HD2 LEU 84 3HD2 LEU 84 -1.656 9.040 1.287 573 H SER 85 H SER 85 -6.000 11.689 0.294 574 HA SER 85 HA SER 85 -4.734 14.329 0.049 575 2HB SER 85 2HB SER 85 -6.647 14.955 -1.342 576 HG SER 85 HG SER 85 -4.912 13.001 -1.931 Start of MODEL 18 1 HA MET 1 HA MET 1 2.169 30.651 1.322 2 2HB MET 1 2HB MET 1 1.766 31.564 3.586 3 2HG MET 1 2HG MET 1 -0.836 31.390 2.093 4 1HE MET 1 1HE MET 1 -0.669 31.323 5.285 5 2HE MET 1 2HE MET 1 -2.199 31.446 4.417 6 3HE MET 1 3HE MET 1 -1.830 32.576 5.721 7 H ASN 2 H ASN 2 2.754 30.397 4.329 8 HA ASN 2 HA ASN 2 4.813 28.425 4.105 9 2HB ASN 2 2HB ASN 2 5.245 30.403 5.404 10 1HD2 ASN 2 1HD2 ASN 2 3.738 28.901 8.111 11 2HD2 ASN 2 2HD2 ASN 2 2.603 30.158 8.449 12 H ASN 3 H ASN 3 2.620 27.050 3.573 13 HA ASN 3 HA ASN 3 1.902 25.586 6.030 14 2HB ASN 3 2HB ASN 3 -0.161 24.956 4.957 15 1HD2 ASN 3 1HD2 ASN 3 -0.861 26.350 6.568 16 2HD2 ASN 3 2HD2 ASN 3 -1.269 28.002 6.251 17 H GLN 4 H GLN 4 3.479 24.024 6.067 18 HA GLN 4 HA GLN 4 4.484 22.842 3.693 19 2HB GLN 4 2HB GLN 4 5.802 23.085 5.782 20 2HG GLN 4 2HG GLN 4 4.289 20.673 6.749 21 1HE2 GLN 4 1HE2 GLN 4 6.274 19.582 7.078 22 2HE2 GLN 4 2HE2 GLN 4 7.368 20.070 8.335 23 H VAL 5 H VAL 5 3.679 21.360 2.516 24 HA VAL 5 HA VAL 5 1.988 19.275 3.727 25 HB VAL 5 HB VAL 5 0.928 19.111 1.400 26 1HG1 VAL 5 1HG1 VAL 5 -0.262 19.989 3.338 27 2HG1 VAL 5 2HG1 VAL 5 -0.686 20.889 1.882 28 3HG1 VAL 5 3HG1 VAL 5 0.433 21.585 3.053 29 1HG2 VAL 5 1HG2 VAL 5 2.576 20.471 0.223 30 2HG2 VAL 5 2HG2 VAL 5 2.115 21.874 1.189 31 3HG2 VAL 5 3HG2 VAL 5 0.957 21.157 0.064 32 H GLU 6 H GLU 6 2.852 17.318 3.536 33 HA GLU 6 HA GLU 6 4.936 16.940 1.512 34 2HB GLU 6 2HB GLU 6 6.365 15.912 3.229 35 2HG GLU 6 2HG GLU 6 5.362 18.674 3.888 36 HA PRO 7 HA PRO 7 3.017 13.196 0.554 37 2HB PRO 7 2HB PRO 7 4.556 13.038 -1.143 38 2HG PRO 7 2HG PRO 7 6.801 13.555 -0.791 39 2HD PRO 7 2HD PRO 7 5.797 15.462 0.018 40 H ARG 8 H ARG 8 2.504 11.142 1.183 41 HA ARG 8 HA ARG 8 3.780 10.159 3.641 42 2HB ARG 8 2HB ARG 8 1.514 10.873 4.087 43 2HG ARG 8 2HG ARG 8 0.232 8.834 2.412 44 2HD ARG 8 2HD ARG 8 -0.834 10.505 3.992 45 HE ARG 8 HE ARG 8 0.487 12.436 2.755 46 1HH1 ARG 8 1HH1 ARG 8 -2.935 11.679 2.743 47 2HH1 ARG 8 2HH1 ARG 8 -3.415 13.316 2.390 48 1HH2 ARG 8 1HH2 ARG 8 -0.168 14.589 2.329 49 2HH2 ARG 8 2HH2 ARG 8 -1.858 14.947 2.172 50 H LYS 9 H LYS 9 3.998 7.794 3.781 51 HA LYS 9 HA LYS 9 4.455 6.759 1.073 52 2HB LYS 9 2HB LYS 9 5.909 5.060 2.315 53 2HG LYS 9 2HG LYS 9 6.748 7.934 2.599 54 2HD LYS 9 2HD LYS 9 8.286 6.445 3.699 55 2HE LYS 9 2HE LYS 9 8.144 4.846 1.146 56 1HZ LYS 9 1HZ LYS 9 9.897 3.462 2.311 57 2HZ LYS 9 2HZ LYS 9 10.196 4.820 3.285 58 3HZ LYS 9 3HZ LYS 9 10.429 4.911 1.608 59 H LEU 10 H LEU 10 3.483 5.032 0.287 60 HA LEU 10 HA LEU 10 1.862 3.358 2.072 61 2HB LEU 10 2HB LEU 10 1.001 2.399 -0.105 62 HG LEU 10 HG LEU 10 0.530 5.365 0.197 63 1HD1 LEU 10 1HD1 LEU 10 -1.497 4.942 -1.052 64 2HD1 LEU 10 2HD1 LEU 10 -1.095 3.231 -1.174 65 3HD1 LEU 10 3HD1 LEU 10 -0.096 4.433 -1.991 66 1HD2 LEU 10 1HD2 LEU 10 0.000 4.134 2.244 67 2HD2 LEU 10 2HD2 LEU 10 -0.980 2.999 1.313 68 3HD2 LEU 10 3HD2 LEU 10 -1.472 4.690 1.443 69 H VAL 11 H VAL 11 2.498 1.376 2.568 70 HA VAL 11 HA VAL 11 4.732 0.208 1.062 71 HB VAL 11 HB VAL 11 3.778 -0.289 3.881 72 1HG1 VAL 11 1HG1 VAL 11 5.509 -1.988 4.069 73 2HG1 VAL 11 2HG1 VAL 11 5.929 -1.773 2.372 74 3HG1 VAL 11 3HG1 VAL 11 4.352 -2.426 2.810 75 1HG2 VAL 11 1HG2 VAL 11 6.474 0.587 2.854 76 2HG2 VAL 11 2HG2 VAL 11 5.944 0.499 4.532 77 3HG2 VAL 11 3HG2 VAL 11 5.231 1.689 3.443 78 H VAL 12 H VAL 12 4.364 -1.516 -0.153 79 HA VAL 12 HA VAL 12 1.812 -2.927 0.133 80 HB VAL 12 HB VAL 12 3.907 -3.096 -2.033 81 1HG1 VAL 12 1HG1 VAL 12 2.798 -5.246 -1.703 82 2HG1 VAL 12 2HG1 VAL 12 2.336 -4.517 -3.243 83 3HG1 VAL 12 3HG1 VAL 12 1.229 -4.461 -1.870 84 1HG2 VAL 12 1HG2 VAL 12 2.629 -1.022 -2.062 85 2HG2 VAL 12 2HG2 VAL 12 1.131 -1.951 -2.092 86 3HG2 VAL 12 3HG2 VAL 12 2.247 -2.036 -3.455 87 H TYR 13 H TYR 13 1.765 -4.720 1.295 88 HA TYR 13 HA TYR 13 4.209 -5.917 2.226 89 2HB TYR 13 2HB TYR 13 2.467 -7.559 3.289 90 HD1 TYR 13 1HD TYR 13 4.694 -5.469 3.872 91 HD2 TYR 13 2HD TYR 13 0.591 -5.741 4.988 92 HE1 TYR 13 1HE TYR 13 5.166 -4.165 5.893 93 HE2 TYR 13 2HE TYR 13 1.060 -4.427 7.015 94 HH TYR 13 HH TYR 13 3.970 -2.733 7.474 95 H GLY 14 H GLY 14 5.284 -6.979 0.671 96 1HA GLY 14 1HA GLY 14 3.881 -8.490 -1.350 97 2HA GLY 14 2HA GLY 14 5.621 -8.276 -1.223 98 H ARG 15 H ARG 15 4.360 -10.689 -1.857 99 HA ARG 15 HA ARG 15 5.447 -12.337 0.298 100 2HB ARG 15 2HB ARG 15 2.818 -13.003 -1.021 101 2HG ARG 15 2HG ARG 15 3.685 -13.880 1.697 102 2HD ARG 15 2HD ARG 15 1.316 -14.107 0.797 103 HE ARG 15 HE ARG 15 2.679 -15.837 -1.121 104 1HH1 ARG 15 1HH1 ARG 15 -0.361 -14.729 0.252 105 2HH1 ARG 15 2HH1 ARG 15 -1.321 -15.400 -1.037 106 1HH2 ARG 15 1HH2 ARG 15 1.405 -16.707 -2.805 107 2HH2 ARG 15 2HH2 ARG 15 -0.323 -16.503 -2.768 108 H GLU 16 H GLU 16 5.520 -11.411 -2.759 109 HA GLU 16 HA GLU 16 5.925 -12.205 -4.836 110 2HB GLU 16 2HB GLU 16 7.341 -14.221 -5.034 111 2HG GLU 16 2HG GLU 16 8.246 -12.484 -2.751 112 H GLY 17 H GLY 17 5.505 -14.085 -6.389 113 1HA GLY 17 1HA GLY 17 4.247 -15.895 -7.118 114 2HA GLY 17 2HA GLY 17 3.603 -16.072 -5.497 115 H CYS 18 H CYS 18 2.272 -13.865 -4.953 116 HA CYS 18 HA CYS 18 -0.080 -14.184 -6.521 117 2HB CYS 18 2HB CYS 18 0.527 -12.080 -4.430 118 HG CYS 18 HG CYS 18 -2.572 -13.296 -5.182 119 H HIS 19 H HIS 19 -0.389 -13.361 -8.453 120 HA HIS 19 HA HIS 19 1.192 -11.241 -9.499 121 2HB HIS 19 2HB HIS 19 -1.302 -11.965 -10.917 122 HD1 HIS 19 1HD HIS 19 2.175 -13.083 -11.765 123 HD2 HIS 19 2HD HIS 19 -0.510 -10.090 -12.830 124 HE1 HIS 19 1HE HIS 19 3.155 -11.989 -13.801 125 H LEU 20 H LEU 20 -1.946 -11.399 -7.993 126 HA LEU 20 HA LEU 20 -3.090 -9.023 -8.858 127 2HB LEU 20 2HB LEU 20 -4.210 -8.971 -6.572 128 HG LEU 20 HG LEU 20 -4.458 -11.687 -7.848 129 1HD1 LEU 20 1HD1 LEU 20 -6.769 -11.499 -7.121 130 2HD1 LEU 20 2HD1 LEU 20 -6.458 -9.886 -6.475 131 3HD1 LEU 20 3HD1 LEU 20 -5.677 -11.295 -5.751 132 1HD2 LEU 20 1HD2 LEU 20 -5.670 -9.084 -8.766 133 2HD2 LEU 20 2HD2 LEU 20 -6.115 -10.681 -9.363 134 3HD2 LEU 20 3HD2 LEU 20 -4.490 -10.055 -9.643 135 H CYS 21 H CYS 21 -0.510 -9.501 -6.533 136 HA CYS 21 HA CYS 21 -0.452 -6.983 -5.350 137 2HB CYS 21 2HB CYS 21 1.984 -7.390 -5.044 138 HG CYS 21 HG CYS 21 0.814 -8.474 -2.926 139 H GLU 22 H GLU 22 0.769 -8.043 -8.499 140 HA GLU 22 HA GLU 22 2.066 -5.580 -9.128 141 2HB GLU 22 2HB GLU 22 2.180 -6.457 -11.418 142 2HG GLU 22 2HG GLU 22 2.718 -8.695 -9.477 143 H GLU 23 H GLU 23 -1.150 -6.893 -9.637 144 HA GLU 23 HA GLU 23 -2.221 -5.011 -11.386 145 2HB GLU 23 2HB GLU 23 -4.408 -5.514 -10.226 146 2HG GLU 23 2HG GLU 23 -4.425 -7.957 -10.697 147 H MET 24 H MET 24 -1.938 -4.956 -7.862 148 HA MET 24 HA MET 24 -3.162 -2.425 -7.489 149 2HB MET 24 2HB MET 24 -2.286 -2.500 -5.251 150 2HG MET 24 2HG MET 24 -2.829 -4.821 -4.510 151 1HE MET 24 1HE MET 24 -4.445 -3.329 -3.177 152 2HE MET 24 2HE MET 24 -5.726 -2.353 -3.899 153 3HE MET 24 3HE MET 24 -4.034 -1.987 -4.241 154 H ILE 25 H ILE 25 0.183 -3.479 -7.907 155 HA ILE 25 HA ILE 25 1.494 -1.056 -7.465 156 HB ILE 25 HB ILE 25 2.196 -3.352 -9.294 157 2HG1 ILE 25 2HG1 ILE 25 2.130 -3.806 -6.854 158 1HG2 ILE 25 1HG2 ILE 25 3.287 -1.365 -10.145 159 2HG2 ILE 25 2HG2 ILE 25 4.472 -2.412 -9.364 160 3HG2 ILE 25 3HG2 ILE 25 3.886 -0.970 -8.534 161 1HD1 ILE 25 1HD1 ILE 25 4.340 -4.713 -6.546 162 2HD1 ILE 25 2HD1 ILE 25 4.960 -3.726 -7.868 163 3HD1 ILE 25 3HD1 ILE 25 3.798 -5.010 -8.197 164 H ALA 26 H ALA 26 0.130 -2.381 -10.468 165 HA ALA 26 HA ALA 26 0.890 -0.320 -12.195 166 1HB ALA 26 1HB ALA 26 -0.020 -2.441 -12.986 167 2HB ALA 26 2HB ALA 26 -0.923 -1.078 -13.649 168 3HB ALA 26 3HB ALA 26 -1.598 -2.020 -12.320 169 H SER 27 H SER 27 -2.041 -0.674 -10.226 170 HA SER 27 HA SER 27 -3.277 1.734 -10.962 171 2HB SER 27 2HB SER 27 -4.502 1.485 -8.788 172 HG SER 27 HG SER 27 -5.173 0.268 -10.614 173 H LEU 28 H LEU 28 -0.950 0.995 -8.389 174 HA LEU 28 HA LEU 28 -0.976 3.537 -7.166 175 2HB LEU 28 2HB LEU 28 1.139 2.876 -6.132 176 HG LEU 28 HG LEU 28 -0.635 0.442 -6.280 177 1HD1 LEU 28 1HD1 LEU 28 0.261 -0.021 -4.057 178 2HD1 LEU 28 2HD1 LEU 28 1.314 1.387 -4.190 179 3HD1 LEU 28 3HD1 LEU 28 1.530 0.017 -5.280 180 1HD2 LEU 28 1HD2 LEU 28 -0.797 2.814 -4.423 181 2HD2 LEU 28 2HD2 LEU 28 -1.781 1.354 -4.330 182 3HD2 LEU 28 3HD2 LEU 28 -1.936 2.438 -5.714 183 H ARG 29 H ARG 29 0.914 2.203 -9.823 184 HA ARG 29 HA ARG 29 2.767 4.293 -10.106 185 2HB ARG 29 2HB ARG 29 2.915 3.482 -12.495 186 2HG ARG 29 2HG ARG 29 3.663 1.178 -11.944 187 2HD ARG 29 2HD ARG 29 5.416 1.866 -10.344 188 HE ARG 29 HE ARG 29 5.296 2.729 -12.820 189 1HH1 ARG 29 1HH1 ARG 29 5.897 4.636 -9.929 190 2HH1 ARG 29 2HH1 ARG 29 6.903 5.784 -10.752 191 1HH2 ARG 29 1HH2 ARG 29 6.630 4.242 -13.886 192 2HH2 ARG 29 2HH2 ARG 29 7.347 5.548 -12.976 193 H VAL 30 H VAL 30 -0.448 3.837 -11.499 194 HA VAL 30 HA VAL 30 -0.377 6.238 -13.033 195 HB VAL 30 HB VAL 30 -2.757 4.600 -12.137 196 1HG1 VAL 30 1HG1 VAL 30 -3.973 5.722 -13.945 197 2HG1 VAL 30 2HG1 VAL 30 -2.563 6.731 -14.268 198 3HG1 VAL 30 3HG1 VAL 30 -3.418 6.878 -12.734 199 1HG2 VAL 30 1HG2 VAL 30 -1.199 4.614 -14.720 200 2HG2 VAL 30 2HG2 VAL 30 -2.680 3.700 -14.426 201 3HG2 VAL 30 3HG2 VAL 30 -1.217 3.326 -13.514 202 H LEU 31 H LEU 31 -1.618 5.384 -9.834 203 HA LEU 31 HA LEU 31 -2.811 7.893 -9.307 204 2HB LEU 31 2HB LEU 31 -2.348 7.114 -6.843 205 HG LEU 31 HG LEU 31 -4.202 5.468 -8.564 206 1HD1 LEU 31 1HD1 LEU 31 -3.828 4.534 -6.340 207 2HD1 LEU 31 2HD1 LEU 31 -5.462 5.189 -6.486 208 3HD1 LEU 31 3HD1 LEU 31 -4.222 6.094 -5.614 209 1HD2 LEU 31 1HD2 LEU 31 -5.902 7.130 -7.915 210 2HD2 LEU 31 2HD2 LEU 31 -4.616 7.834 -8.897 211 3HD2 LEU 31 3HD2 LEU 31 -4.639 8.100 -7.153 212 H GLN 32 H GLN 32 0.455 6.673 -8.860 213 HA GLN 32 HA GLN 32 1.475 8.716 -7.247 214 2HB GLN 32 2HB GLN 32 3.633 8.075 -8.746 215 2HG GLN 32 2HG GLN 32 2.383 6.385 -6.594 216 1HE2 GLN 32 1HE2 GLN 32 3.819 4.976 -5.491 217 2HE2 GLN 32 2HE2 GLN 32 5.158 4.267 -6.318 218 H LYS 33 H LYS 33 0.548 8.755 -10.551 219 HA LYS 33 HA LYS 33 2.127 11.054 -11.265 220 2HB LYS 33 2HB LYS 33 0.929 10.971 -13.385 221 2HG LYS 33 2HG LYS 33 1.575 8.160 -12.564 222 2HD LYS 33 2HD LYS 33 2.407 8.030 -14.870 223 2HE LYS 33 2HE LYS 33 -0.448 8.989 -14.732 224 1HZ LYS 33 1HZ LYS 33 -0.751 7.451 -16.585 225 2HZ LYS 33 2HZ LYS 33 0.910 7.129 -16.604 226 3HZ LYS 33 3HZ LYS 33 0.346 8.679 -16.981 227 H LYS 34 H LYS 34 -0.801 10.505 -9.681 228 HA LYS 34 HA LYS 34 -1.753 13.243 -10.194 229 2HB LYS 34 2HB LYS 34 -3.882 12.449 -9.189 230 2HG LYS 34 2HG LYS 34 -2.845 10.816 -11.489 231 2HD LYS 34 2HD LYS 34 -5.647 11.075 -10.409 232 2HE LYS 34 2HE LYS 34 -6.180 9.497 -12.296 233 1HZ LYS 34 1HZ LYS 34 -5.225 12.151 -13.224 234 2HZ LYS 34 2HZ LYS 34 -6.672 11.921 -12.362 235 3HZ LYS 34 3HZ LYS 34 -6.472 11.206 -13.888 236 H SER 35 H SER 35 -1.071 10.878 -7.693 237 HA SER 35 HA SER 35 -0.636 12.994 -5.731 238 2HB SER 35 2HB SER 35 -2.008 11.786 -4.056 239 HG SER 35 HG SER 35 -4.059 11.976 -5.647 240 H TRP 36 H TRP 36 1.374 12.631 -5.025 241 HA TRP 36 HA TRP 36 2.605 10.073 -5.433 242 2HB TRP 36 2HB TRP 36 3.776 12.512 -4.085 243 HD1 TRP 36 HD TRP 36 5.557 11.215 -2.626 244 HE1 TRP 36 1HE TRP 36 7.561 9.703 -3.218 245 HE3 TRP 36 3HE TRP 36 4.588 10.474 -7.594 246 HZ2 TRP 36 2HZ TRP 36 8.590 8.390 -5.466 247 HZ3 TRP 36 3HZ TRP 36 6.146 9.077 -8.900 248 HH2 TRP 36 HH TRP 36 8.106 8.058 -7.857 249 H PHE 37 H PHE 37 2.896 8.488 -4.021 250 HA PHE 37 HA PHE 37 2.762 9.059 -1.153 251 2HB PHE 37 2HB PHE 37 0.571 8.296 -1.466 252 HD1 PHE 37 1HD PHE 37 -0.810 8.135 -3.265 253 HD2 PHE 37 2HD PHE 37 2.412 5.378 -2.924 254 HE1 PHE 37 1HE PHE 37 -1.619 6.947 -5.251 255 HE2 PHE 37 2HE PHE 37 1.602 4.182 -4.909 256 HZ PHE 37 HZ PHE 37 -0.417 4.968 -6.079 257 H GLU 38 H GLU 38 4.831 8.292 -3.226 258 HA GLU 38 HA GLU 38 6.646 6.942 -3.477 259 2HB GLU 38 2HB GLU 38 7.499 5.849 -1.370 260 2HG GLU 38 2HG GLU 38 7.569 8.082 -0.036 261 H LEU 39 H LEU 39 7.443 4.564 -3.008 262 HA LEU 39 HA LEU 39 5.265 2.705 -2.567 263 2HB LEU 39 2HB LEU 39 6.936 2.412 -5.055 264 HG LEU 39 HG LEU 39 6.040 0.285 -4.635 265 1HD1 LEU 39 1HD1 LEU 39 4.636 0.878 -2.733 266 2HD1 LEU 39 2HD1 LEU 39 3.731 -0.097 -3.889 267 3HD1 LEU 39 3HD1 LEU 39 3.474 1.646 -3.812 268 1HD2 LEU 39 1HD2 LEU 39 4.263 -0.007 -6.286 269 2HD2 LEU 39 2HD2 LEU 39 5.502 1.097 -6.886 270 3HD2 LEU 39 3HD2 LEU 39 3.968 1.733 -6.287 271 H GLU 40 H GLU 40 5.953 1.380 -1.098 272 HA GLU 40 HA GLU 40 8.741 0.440 -1.198 273 2HB GLU 40 2HB GLU 40 7.115 1.059 1.277 274 2HG GLU 40 2HG GLU 40 9.933 0.088 0.953 275 H VAL 41 H VAL 41 8.881 -1.692 -1.396 276 HA VAL 41 HA VAL 41 6.485 -3.304 -0.816 277 HB VAL 41 HB VAL 41 8.869 -4.025 -2.539 278 1HG1 VAL 41 1HG1 VAL 41 7.412 -5.862 -3.328 279 2HG1 VAL 41 2HG1 VAL 41 6.225 -5.411 -2.103 280 3HG1 VAL 41 3HG1 VAL 41 7.818 -5.993 -1.616 281 1HG2 VAL 41 1HG2 VAL 41 7.580 -2.206 -3.530 282 2HG2 VAL 41 2HG2 VAL 41 6.097 -3.142 -3.343 283 3HG2 VAL 41 3HG2 VAL 41 7.359 -3.699 -4.444 284 H ILE 42 H ILE 42 6.525 -4.498 0.958 285 HA ILE 42 HA ILE 42 9.135 -5.418 1.965 286 HB ILE 42 HB ILE 42 6.786 -4.495 3.627 287 2HG1 ILE 42 2HG1 ILE 42 8.095 -2.688 2.527 288 1HG2 ILE 42 1HG2 ILE 42 9.489 -5.542 4.463 289 2HG2 ILE 42 2HG2 ILE 42 7.940 -6.353 4.687 290 3HG2 ILE 42 3HG2 ILE 42 8.281 -4.852 5.549 291 1HD1 ILE 42 1HD1 ILE 42 8.564 -1.342 4.415 292 2HD1 ILE 42 2HD1 ILE 42 8.748 -2.760 5.452 293 3HD1 ILE 42 3HD1 ILE 42 7.160 -2.341 4.809 294 H ASN 43 H ASN 43 9.212 -7.539 1.654 295 HA ASN 43 HA ASN 43 6.919 -9.165 1.316 296 2HB ASN 43 2HB ASN 43 8.655 -11.051 1.453 297 1HD2 ASN 43 1HD2 ASN 43 7.747 -11.515 -0.447 298 2HD2 ASN 43 2HD2 ASN 43 8.169 -10.733 -1.938 299 H ILE 44 H ILE 44 5.668 -10.058 2.777 300 HA ILE 44 HA ILE 44 6.478 -10.119 5.569 301 HB ILE 44 HB ILE 44 4.225 -10.884 6.057 302 2HG1 ILE 44 2HG1 ILE 44 4.021 -12.262 3.953 303 1HG2 ILE 44 1HG2 ILE 44 4.603 -8.501 5.837 304 2HG2 ILE 44 2HG2 ILE 44 2.986 -8.927 5.278 305 3HG2 ILE 44 3HG2 ILE 44 4.260 -8.591 4.105 306 1HD1 ILE 44 1HD1 ILE 44 1.701 -10.418 4.454 307 2HD1 ILE 44 2HD1 ILE 44 2.062 -11.878 5.369 308 3HD1 ILE 44 3HD1 ILE 44 1.645 -11.991 3.661 309 H ASP 45 H ASP 45 6.673 -12.157 2.903 310 HA ASP 45 HA ASP 45 6.340 -14.651 4.266 311 2HB ASP 45 2HB ASP 45 6.043 -14.582 1.868 312 H GLY 46 H GLY 46 8.695 -12.290 4.380 313 1HA GLY 46 1HA GLY 46 10.774 -14.147 5.295 314 2HA GLY 46 2HA GLY 46 10.961 -12.412 5.060 315 H ASN 47 H ASN 47 8.093 -12.697 6.513 316 HA ASN 47 HA ASN 47 9.157 -12.770 9.251 317 2HB ASN 47 2HB ASN 47 7.601 -10.901 9.837 318 1HD2 ASN 47 1HD2 ASN 47 8.755 -9.687 6.814 319 2HD2 ASN 47 2HD2 ASN 47 10.143 -8.871 7.444 320 H GLU 48 H GLU 48 8.246 -14.658 9.895 321 HA GLU 48 HA GLU 48 5.953 -15.727 8.682 322 2HB GLU 48 2HB GLU 48 6.100 -17.445 10.539 323 2HG GLU 48 2HG GLU 48 8.602 -16.826 8.982 324 H HIS 49 H HIS 49 6.222 -13.692 11.516 325 HA HIS 49 HA HIS 49 3.576 -14.329 12.443 326 2HB HIS 49 2HB HIS 49 3.881 -12.061 13.690 327 HD1 HIS 49 1HD HIS 49 3.076 -13.810 15.437 328 HD2 HIS 49 2HD HIS 49 7.102 -14.101 14.434 329 HE1 HIS 49 1HE HIS 49 4.112 -15.271 17.208 330 H LEU 50 H LEU 50 5.001 -11.727 10.489 331 HA LEU 50 HA LEU 50 2.588 -10.377 9.935 332 2HB LEU 50 2HB LEU 50 3.793 -9.644 7.816 333 HG LEU 50 HG LEU 50 5.418 -9.206 10.318 334 1HD1 LEU 50 1HD1 LEU 50 6.553 -8.541 8.282 335 2HD1 LEU 50 2HD1 LEU 50 6.061 -7.125 9.208 336 3HD1 LEU 50 3HD1 LEU 50 5.142 -7.607 7.782 337 1HD2 LEU 50 1HD2 LEU 50 4.051 -7.209 10.648 338 2HD2 LEU 50 2HD2 LEU 50 3.060 -8.666 10.701 339 3HD2 LEU 50 3HD2 LEU 50 3.058 -7.649 9.259 340 H THR 51 H THR 51 4.047 -13.255 8.603 341 HA THR 51 HA THR 51 2.739 -13.497 6.183 342 HB THR 51 HB THR 51 3.366 -15.769 8.077 343 HG1 THR 51 1HG THR 51 5.002 -14.049 6.806 344 1HG2 THR 51 1HG2 THR 51 3.492 -17.126 6.052 345 2HG2 THR 51 2HG2 THR 51 3.075 -15.721 5.071 346 3HG2 THR 51 3HG2 THR 51 1.897 -16.386 6.203 347 H ARG 52 H ARG 52 1.636 -14.882 9.304 348 HA ARG 52 HA ARG 52 -0.784 -15.839 8.227 349 2HB ARG 52 2HB ARG 52 -1.512 -15.908 10.683 350 2HG ARG 52 2HG ARG 52 1.106 -17.263 10.095 351 2HD ARG 52 2HD ARG 52 -1.255 -17.885 11.849 352 HE ARG 52 HE ARG 52 0.912 -19.802 11.295 353 1HH1 ARG 52 1HH1 ARG 52 -2.484 -19.033 11.655 354 2HH1 ARG 52 2HH1 ARG 52 -3.006 -20.683 11.491 355 1HH2 ARG 52 1HH2 ARG 52 0.229 -21.987 11.093 356 2HH2 ARG 52 2HH2 ARG 52 -1.468 -22.359 11.167 357 H LEU 53 H LEU 53 0.110 -12.750 9.541 358 HA LEU 53 HA LEU 53 -2.506 -11.769 9.999 359 2HB LEU 53 2HB LEU 53 -1.317 -9.515 9.857 360 HG LEU 53 HG LEU 53 -0.248 -11.569 11.796 361 1HD1 LEU 53 1HD1 LEU 53 0.453 -9.645 13.146 362 2HD1 LEU 53 2HD1 LEU 53 -0.017 -8.559 11.837 363 3HD1 LEU 53 3HD1 LEU 53 1.308 -9.700 11.603 364 1HD2 LEU 53 1HD2 LEU 53 -2.383 -9.452 12.048 365 2HD2 LEU 53 2HD2 LEU 53 -1.835 -10.525 13.337 366 3HD2 LEU 53 3HD2 LEU 53 -2.658 -11.188 11.925 367 H TYR 54 H TYR 54 -0.387 -11.690 7.149 368 HA TYR 54 HA TYR 54 -2.585 -10.383 5.683 369 2HB TYR 54 2HB TYR 54 -0.997 -8.946 4.522 370 HD1 TYR 54 1HD TYR 54 -2.612 -7.513 5.791 371 HD2 TYR 54 2HD TYR 54 0.975 -8.978 7.548 372 HE1 TYR 54 1HE TYR 54 -2.803 -5.829 7.570 373 HE2 TYR 54 2HE TYR 54 0.788 -7.300 9.339 374 HH TYR 54 HH TYR 54 -0.258 -5.171 9.782 375 H ASN 55 H ASN 55 -1.390 -13.226 5.806 376 HA ASN 55 HA ASN 55 0.081 -13.861 3.561 377 2HB ASN 55 2HB ASN 55 -2.114 -15.525 4.813 378 1HD2 ASN 55 1HD2 ASN 55 -2.207 -17.648 4.255 379 2HD2 ASN 55 2HD2 ASN 55 -1.313 -18.331 2.932 380 H ASP 56 H ASP 56 -3.457 -13.895 3.826 381 HA ASP 56 HA ASP 56 -3.683 -14.217 0.935 382 2HB ASP 56 2HB ASP 56 -5.055 -15.637 2.414 383 H ARG 57 H ARG 57 -2.978 -11.712 2.655 384 HA ARG 57 HA ARG 57 -4.649 -9.892 1.088 385 2HB ARG 57 2HB ARG 57 -4.850 -8.380 3.012 386 2HG ARG 57 2HG ARG 57 -5.738 -11.131 3.853 387 2HD ARG 57 2HD ARG 57 -7.559 -9.907 4.951 388 HE ARG 57 HE ARG 57 -5.097 -10.106 6.025 389 1HH1 ARG 57 1HH1 ARG 57 -7.540 -7.604 6.137 390 2HH1 ARG 57 2HH1 ARG 57 -7.028 -6.988 7.685 391 1HH2 ARG 57 1HH2 ARG 57 -4.455 -9.342 8.098 392 2HH2 ARG 57 2HH2 ARG 57 -5.311 -8.010 8.820 393 H VAL 58 H VAL 58 -2.244 -10.642 0.211 394 HA VAL 58 HA VAL 58 -0.249 -8.829 1.250 395 HB VAL 58 HB VAL 58 1.204 -9.882 -0.613 396 1HG1 VAL 58 1HG1 VAL 58 1.508 -10.199 1.772 397 2HG1 VAL 58 2HG1 VAL 58 1.756 -11.718 0.909 398 3HG1 VAL 58 3HG1 VAL 58 0.252 -11.435 1.786 399 1HG2 VAL 58 1HG2 VAL 58 -0.496 -11.036 -1.864 400 2HG2 VAL 58 2HG2 VAL 58 -1.063 -11.866 -0.415 401 3HG2 VAL 58 3HG2 VAL 58 0.531 -12.243 -1.077 402 HA PRO 59 HA PRO 59 -0.905 -6.618 -2.727 403 2HB PRO 59 2HB PRO 59 -2.381 -7.043 -4.424 404 2HG PRO 59 2HG PRO 59 -2.162 -9.299 -4.049 405 2HD PRO 59 2HD PRO 59 -2.157 -10.180 -1.904 406 H VAL 60 H VAL 60 -0.935 -6.069 -0.183 407 HA VAL 60 HA VAL 60 -3.332 -4.492 0.485 408 HB VAL 60 HB VAL 60 -2.210 -6.602 1.847 409 1HG1 VAL 60 1HG1 VAL 60 -1.344 -4.158 3.354 410 2HG1 VAL 60 2HG1 VAL 60 -0.264 -5.256 2.488 411 3HG1 VAL 60 3HG1 VAL 60 -1.202 -5.843 3.864 412 1HG2 VAL 60 1HG2 VAL 60 -4.461 -5.785 2.150 413 2HG2 VAL 60 2HG2 VAL 60 -3.852 -4.368 3.008 414 3HG2 VAL 60 3HG2 VAL 60 -3.653 -5.977 3.705 415 H LEU 61 H LEU 61 -3.023 -2.468 1.510 416 HA LEU 61 HA LEU 61 -0.355 -1.316 1.036 417 2HB LEU 61 2HB LEU 61 -1.560 0.875 0.870 418 HG LEU 61 HG LEU 61 -2.489 -1.161 -1.150 419 1HD1 LEU 61 1HD1 LEU 61 -2.291 1.839 -1.337 420 2HD1 LEU 61 2HD1 LEU 61 -3.785 0.916 -1.197 421 3HD1 LEU 61 3HD1 LEU 61 -2.772 0.744 -2.631 422 1HD2 LEU 61 1HD2 LEU 61 -0.067 -1.145 -0.967 423 2HD2 LEU 61 2HD2 LEU 61 -0.053 0.613 -1.102 424 3HD2 LEU 61 3HD2 LEU 61 -0.571 -0.368 -2.468 425 H PHE 62 H PHE 62 0.745 -0.795 2.772 426 HA PHE 62 HA PHE 62 -0.658 -0.270 5.293 427 2HB PHE 62 2HB PHE 62 2.258 -0.802 4.678 428 HD1 PHE 62 1HD PHE 62 3.434 0.741 6.023 429 HD2 PHE 62 2HD PHE 62 0.215 -1.506 7.675 430 HE1 PHE 62 1HE PHE 62 4.065 1.496 8.275 431 HE2 PHE 62 2HE PHE 62 0.847 -0.756 9.930 432 HZ PHE 62 HZ PHE 62 2.771 0.748 10.232 433 H ALA 63 H ALA 63 -0.897 1.746 5.990 434 HA ALA 63 HA ALA 63 0.330 3.916 4.517 435 1HB ALA 63 1HB ALA 63 -1.078 5.369 5.895 436 2HB ALA 63 2HB ALA 63 -1.581 3.974 6.848 437 3HB ALA 63 3HB ALA 63 -2.016 4.080 5.143 438 H VAL 64 H VAL 64 2.383 4.353 4.993 439 HA VAL 64 HA VAL 64 3.431 4.095 7.667 440 HB VAL 64 HB VAL 64 4.689 5.302 5.194 441 1HG1 VAL 64 1HG1 VAL 64 6.803 5.112 6.402 442 2HG1 VAL 64 2HG1 VAL 64 5.945 4.515 7.822 443 3HG1 VAL 64 3HG1 VAL 64 5.678 6.167 7.261 444 1HG2 VAL 64 1HG2 VAL 64 5.953 3.199 5.101 445 2HG2 VAL 64 2HG2 VAL 64 4.216 2.946 4.909 446 3HG2 VAL 64 3HG2 VAL 64 4.997 2.581 6.449 447 H ASN 65 H ASN 65 2.389 5.486 8.989 448 HA ASN 65 HA ASN 65 3.167 8.094 9.340 449 2HB ASN 65 2HB ASN 65 0.459 8.089 7.998 450 1HD2 ASN 65 1HD2 ASN 65 1.499 10.409 6.514 451 2HD2 ASN 65 2HD2 ASN 65 1.390 11.739 7.615 452 H GLU 66 H GLU 66 0.238 6.095 9.302 453 HA GLU 66 HA GLU 66 -0.266 6.870 12.100 454 2HB GLU 66 2HB GLU 66 -2.304 6.142 9.982 455 2HG GLU 66 2HG GLU 66 -2.674 7.208 12.771 456 H ASP 67 H ASP 67 0.518 4.354 10.023 457 HA ASP 67 HA ASP 67 0.687 2.101 10.211 458 2HB ASP 67 2HB ASP 67 -0.051 2.533 13.120 459 H LYS 68 H LYS 68 -0.981 1.667 8.837 460 HA LYS 68 HA LYS 68 -3.330 0.436 9.871 461 2HB LYS 68 2HB LYS 68 -3.974 2.807 10.188 462 2HG LYS 68 2HG LYS 68 -3.941 3.128 7.204 463 2HD LYS 68 2HD LYS 68 -4.033 5.521 7.789 464 2HE LYS 68 2HE LYS 68 -6.203 3.854 9.057 465 1HZ LYS 68 1HZ LYS 68 -7.587 5.769 8.800 466 2HZ LYS 68 2HZ LYS 68 -6.334 6.657 8.084 467 3HZ LYS 68 3HZ LYS 68 -6.230 6.217 9.718 468 H GLU 69 H GLU 69 -4.452 -0.700 8.234 469 HA GLU 69 HA GLU 69 -3.052 -0.817 5.681 470 2HB GLU 69 2HB GLU 69 -4.076 -2.886 5.302 471 2HG GLU 69 2HG GLU 69 -2.718 -2.720 7.573 472 H LEU 70 H LEU 70 -3.858 -0.144 3.804 473 HA LEU 70 HA LEU 70 -6.122 1.635 3.814 474 2HB LEU 70 2HB LEU 70 -5.496 1.536 1.235 475 HG LEU 70 HG LEU 70 -3.520 3.078 1.587 476 1HD1 LEU 70 1HD1 LEU 70 -4.919 4.885 2.517 477 2HD1 LEU 70 2HD1 LEU 70 -6.147 3.682 2.918 478 3HD1 LEU 70 3HD1 LEU 70 -5.707 3.966 1.230 479 1HD2 LEU 70 1HD2 LEU 70 -4.262 2.622 4.468 480 2HD2 LEU 70 2HD2 LEU 70 -3.277 3.962 3.887 481 3HD2 LEU 70 3HD2 LEU 70 -2.703 2.305 3.698 482 H CYS 71 H CYS 71 -5.301 -0.990 1.586 483 HA CYS 71 HA CYS 71 -7.919 -2.157 1.849 484 2HB CYS 71 2HB CYS 71 -8.488 -0.472 0.253 485 HG CYS 71 HG CYS 71 -7.079 0.769 -1.487 486 H HIS 72 H HIS 72 -8.026 -3.859 -0.133 487 HA HIS 72 HA HIS 72 -5.513 -5.385 0.050 488 2HB HIS 72 2HB HIS 72 -7.112 -6.481 1.454 489 HD1 HIS 72 1HD HIS 72 -8.993 -6.931 -1.841 490 HD2 HIS 72 2HD HIS 72 -9.654 -5.797 2.105 491 HE1 HIS 72 1HE HIS 72 -11.475 -6.644 -1.626 492 H TYR 73 H TYR 73 -5.986 -7.414 -1.635 493 HA TYR 73 HA TYR 73 -5.467 -6.621 -4.158 494 2HB TYR 73 2HB TYR 73 -5.308 -8.928 -3.697 495 HD1 TYR 73 1HD TYR 73 -5.873 -9.531 -1.418 496 HD2 TYR 73 2HD TYR 73 -8.862 -9.297 -4.422 497 HE1 TYR 73 1HE TYR 73 -7.415 -10.789 0.032 498 HE2 TYR 73 2HE TYR 73 -10.423 -10.550 -2.987 499 HH TYR 73 HH TYR 73 -9.754 -11.157 0.340 500 H PHE 74 H PHE 74 -6.505 -5.890 -5.923 501 HA PHE 74 HA PHE 74 -8.066 -4.871 -7.185 502 2HB PHE 74 2HB PHE 74 -10.554 -5.314 -6.583 503 HD1 PHE 74 1HD PHE 74 -8.974 -8.559 -6.194 504 HD2 PHE 74 2HD PHE 74 -10.219 -5.614 -8.997 505 HE1 PHE 74 1HE PHE 74 -8.782 -10.210 -8.005 506 HE2 PHE 74 2HE PHE 74 -10.037 -7.261 -10.815 507 HZ PHE 74 HZ PHE 74 -9.315 -9.564 -10.320 508 H LEU 75 H LEU 75 -7.595 -2.867 -6.808 509 HA LEU 75 HA LEU 75 -7.311 -1.659 -4.355 510 2HB LEU 75 2HB LEU 75 -7.757 -0.330 -7.017 511 HG LEU 75 HG LEU 75 -7.652 1.299 -5.144 512 1HD1 LEU 75 1HD1 LEU 75 -5.572 1.581 -3.927 513 2HD1 LEU 75 2HD1 LEU 75 -4.888 0.174 -4.743 514 3HD1 LEU 75 3HD1 LEU 75 -6.246 -0.023 -3.634 515 1HD2 LEU 75 1HD2 LEU 75 -5.905 2.680 -6.130 516 2HD2 LEU 75 2HD2 LEU 75 -6.854 1.874 -7.381 517 3HD2 LEU 75 3HD2 LEU 75 -5.250 1.268 -6.961 518 H ASP 76 H ASP 76 -8.737 -0.962 -2.897 519 HA ASP 76 HA ASP 76 -11.348 0.024 -3.644 520 2HB ASP 76 2HB ASP 76 -11.333 0.827 -1.176 521 H SER 77 H SER 77 -11.174 1.759 -4.934 522 HA SER 77 HA SER 77 -8.965 3.537 -4.821 523 2HB SER 77 2HB SER 77 -10.030 4.686 -6.656 524 HG SER 77 HG SER 77 -10.305 1.871 -6.629 525 H ASP 78 H ASP 78 -12.294 3.743 -3.677 526 HA ASP 78 HA ASP 78 -12.298 6.475 -3.033 527 2HB ASP 78 2HB ASP 78 -13.794 4.235 -1.656 528 H VAL 79 H VAL 79 -11.330 3.654 -1.131 529 HA VAL 79 HA VAL 79 -10.951 5.061 1.288 530 HB VAL 79 HB VAL 79 -9.848 2.412 0.354 531 1HG1 VAL 79 1HG1 VAL 79 -9.257 1.970 2.680 532 2HG1 VAL 79 2HG1 VAL 79 -9.752 3.604 3.125 533 3HG1 VAL 79 3HG1 VAL 79 -8.367 3.362 2.060 534 1HG2 VAL 79 1HG2 VAL 79 -12.246 2.450 0.592 535 2HG2 VAL 79 2HG2 VAL 79 -12.109 3.189 2.187 536 3HG2 VAL 79 3HG2 VAL 79 -11.550 1.534 1.929 537 H ILE 80 H ILE 80 -8.611 4.059 -1.235 538 HA ILE 80 HA ILE 80 -6.411 5.219 0.124 539 HB ILE 80 HB ILE 80 -6.015 3.553 -1.625 540 2HG1 ILE 80 2HG1 ILE 80 -4.830 6.261 -2.266 541 1HG2 ILE 80 1HG2 ILE 80 -6.885 5.685 -3.555 542 2HG2 ILE 80 2HG2 ILE 80 -7.799 4.229 -3.157 543 3HG2 ILE 80 3HG2 ILE 80 -6.239 4.098 -3.969 544 1HD1 ILE 80 1HD1 ILE 80 -3.070 5.752 -0.778 545 2HD1 ILE 80 2HD1 ILE 80 -3.676 4.116 -0.518 546 3HD1 ILE 80 3HD1 ILE 80 -4.579 5.499 0.099 547 H GLY 81 H GLY 81 -8.694 6.484 -2.263 548 1HA GLY 81 1HA GLY 81 -7.434 8.949 -2.752 549 2HA GLY 81 2HA GLY 81 -9.165 8.649 -2.881 550 H ALA 82 H ALA 82 -9.600 7.906 -0.190 551 HA ALA 82 HA ALA 82 -10.005 10.397 1.043 552 1HB ALA 82 1HB ALA 82 -11.371 8.420 1.529 553 2HB ALA 82 2HB ALA 82 -10.682 9.099 3.003 554 3HB ALA 82 3HB ALA 82 -9.984 7.642 2.292 555 H TYR 83 H TYR 83 -7.598 7.859 1.634 556 HA TYR 83 HA TYR 83 -6.307 9.252 3.761 557 2HB TYR 83 2HB TYR 83 -5.507 6.870 2.087 558 HD1 TYR 83 1HD TYR 83 -4.698 7.826 5.584 559 HD2 TYR 83 2HD TYR 83 -3.189 7.020 1.681 560 HE1 TYR 83 1HE TYR 83 -2.405 7.872 6.468 561 HE2 TYR 83 2HE TYR 83 -0.894 7.056 2.565 562 HH TYR 83 HH TYR 83 -0.183 7.008 5.877 563 H LEU 84 H LEU 84 -5.827 9.095 0.293 564 HA LEU 84 HA LEU 84 -3.208 10.300 0.456 565 2HB LEU 84 2HB LEU 84 -4.095 10.303 -2.214 566 HG LEU 84 HG LEU 84 -2.625 8.259 -2.437 567 1HD1 LEU 84 1HD1 LEU 84 -1.777 10.524 -2.782 568 2HD1 LEU 84 2HD1 LEU 84 -0.563 9.511 -2.001 569 3HD1 LEU 84 3HD1 LEU 84 -1.475 10.683 -1.052 570 1HD2 LEU 84 1HD2 LEU 84 -1.242 7.663 -0.528 571 2HD2 LEU 84 2HD2 LEU 84 -2.946 7.366 -0.193 572 3HD2 LEU 84 3HD2 LEU 84 -2.148 8.781 0.489 573 H SER 85 H SER 85 -6.028 11.640 0.997 574 HA SER 85 HA SER 85 -5.448 14.104 -0.473 575 2HB SER 85 2HB SER 85 -7.617 14.900 0.398 576 HG SER 85 HG SER 85 -7.994 12.264 -0.580 Start of MODEL 19 1 HA MET 1 HA MET 1 -1.546 29.145 0.781 2 2HB MET 1 2HB MET 1 -0.949 30.071 -2.035 3 2HG MET 1 2HG MET 1 -0.259 27.447 -0.733 4 1HE MET 1 1HE MET 1 1.556 25.889 -3.882 5 2HE MET 1 2HE MET 1 1.211 25.684 -2.166 6 3HE MET 1 3HE MET 1 2.270 26.992 -2.706 7 H ASN 2 H ASN 2 0.052 29.345 2.172 8 HA ASN 2 HA ASN 2 2.358 31.024 1.422 9 2HB ASN 2 2HB ASN 2 1.335 30.533 4.227 10 1HD2 ASN 2 1HD2 ASN 2 2.654 33.472 2.975 11 2HD2 ASN 2 2HD2 ASN 2 4.135 33.438 3.873 12 H ASN 3 H ASN 3 1.157 28.068 2.855 13 HA ASN 3 HA ASN 3 3.914 27.026 2.892 14 2HB ASN 3 2HB ASN 3 3.184 25.531 4.770 15 1HD2 ASN 3 1HD2 ASN 3 1.648 28.462 5.743 16 2HD2 ASN 3 2HD2 ASN 3 2.993 29.132 6.598 17 H GLN 4 H GLN 4 4.214 24.876 2.311 18 HA GLN 4 HA GLN 4 1.878 23.516 1.136 19 2HB GLN 4 2HB GLN 4 3.340 24.291 -0.659 20 2HG GLN 4 2HG GLN 4 5.505 22.661 0.645 21 1HE2 GLN 4 1HE2 GLN 4 5.980 21.447 -1.180 22 2HE2 GLN 4 2HE2 GLN 4 6.641 22.153 -2.617 23 H VAL 5 H VAL 5 2.034 21.141 1.181 24 HA VAL 5 HA VAL 5 3.381 20.319 3.645 25 HB VAL 5 HB VAL 5 1.861 18.380 3.645 26 1HG1 VAL 5 1HG1 VAL 5 -0.202 19.621 4.146 27 2HG1 VAL 5 2HG1 VAL 5 0.504 21.060 3.407 28 3HG1 VAL 5 3HG1 VAL 5 1.226 20.368 4.862 29 1HG2 VAL 5 1HG2 VAL 5 1.508 18.141 1.260 30 2HG2 VAL 5 2HG2 VAL 5 0.663 19.689 1.207 31 3HG2 VAL 5 3HG2 VAL 5 -0.041 18.331 2.086 32 H GLU 6 H GLU 6 3.747 17.820 3.590 33 HA GLU 6 HA GLU 6 5.447 17.254 1.261 34 2HB GLU 6 2HB GLU 6 6.776 17.581 3.238 35 2HG GLU 6 2HG GLU 6 5.231 15.415 4.622 36 HA PRO 7 HA PRO 7 3.101 13.678 0.410 37 2HB PRO 7 2HB PRO 7 4.694 13.100 -1.147 38 2HG PRO 7 2HG PRO 7 6.964 13.168 -0.637 39 2HD PRO 7 2HD PRO 7 6.377 15.296 0.021 40 H ARG 8 H ARG 8 2.178 11.744 1.116 41 HA ARG 8 HA ARG 8 2.972 10.922 3.820 42 2HB ARG 8 2HB ARG 8 0.795 11.909 3.851 43 2HG ARG 8 2HG ARG 8 -0.274 9.877 1.936 44 2HD ARG 8 2HD ARG 8 -1.623 11.311 3.614 45 HE ARG 8 HE ARG 8 -0.470 13.433 2.304 46 1HH1 ARG 8 1HH1 ARG 8 -3.758 12.334 2.866 47 2HH1 ARG 8 2HH1 ARG 8 -4.437 13.932 2.770 48 1HH2 ARG 8 1HH2 ARG 8 -1.369 15.529 2.198 49 2HH2 ARG 8 2HH2 ARG 8 -3.085 15.742 2.380 50 H LYS 9 H LYS 9 3.845 8.961 3.981 51 HA LYS 9 HA LYS 9 4.266 7.499 1.560 52 2HB LYS 9 2HB LYS 9 5.142 6.834 4.365 53 2HG LYS 9 2HG LYS 9 6.442 6.056 1.775 54 2HD LYS 9 2HD LYS 9 6.928 5.143 4.611 55 2HE LYS 9 2HE LYS 9 8.522 4.657 2.110 56 1HZ LYS 9 1HZ LYS 9 9.911 4.512 4.002 57 2HZ LYS 9 2HZ LYS 9 9.544 2.912 3.559 58 3HZ LYS 9 3HZ LYS 9 8.759 3.627 4.879 59 H LEU 10 H LEU 10 3.519 5.598 0.901 60 HA LEU 10 HA LEU 10 1.692 4.087 2.651 61 2HB LEU 10 2HB LEU 10 1.066 3.005 0.383 62 HG LEU 10 HG LEU 10 0.251 5.861 0.920 63 1HD1 LEU 10 1HD1 LEU 10 -1.615 5.423 -0.548 64 2HD1 LEU 10 2HD1 LEU 10 -1.038 3.787 -0.848 65 3HD1 LEU 10 3HD1 LEU 10 -0.109 5.172 -1.422 66 1HD2 LEU 10 1HD2 LEU 10 -0.272 4.266 2.725 67 2HD2 LEU 10 2HD2 LEU 10 -1.113 3.242 1.559 68 3HD2 LEU 10 3HD2 LEU 10 -1.726 4.856 1.919 69 H VAL 11 H VAL 11 1.992 1.908 2.918 70 HA VAL 11 HA VAL 11 4.382 0.727 1.660 71 HB VAL 11 HB VAL 11 3.243 0.230 4.419 72 1HG1 VAL 11 1HG1 VAL 11 3.826 -1.907 3.347 73 2HG1 VAL 11 2HG1 VAL 11 4.893 -1.519 4.700 74 3HG1 VAL 11 3HG1 VAL 11 5.452 -1.292 3.041 75 1HG2 VAL 11 1HG2 VAL 11 5.501 0.838 5.157 76 2HG2 VAL 11 2HG2 VAL 11 4.732 2.145 4.256 77 3HG2 VAL 11 3HG2 VAL 11 5.961 1.144 3.481 78 H VAL 12 H VAL 12 4.130 -1.217 0.649 79 HA VAL 12 HA VAL 12 1.424 -2.384 0.727 80 HB VAL 12 HB VAL 12 3.465 -2.566 -1.492 81 1HG1 VAL 12 1HG1 VAL 12 2.093 -4.574 -1.286 82 2HG1 VAL 12 2HG1 VAL 12 1.712 -3.681 -2.761 83 3HG1 VAL 12 3HG1 VAL 12 0.636 -3.582 -1.366 84 1HG2 VAL 12 1HG2 VAL 12 2.489 -0.348 -1.378 85 2HG2 VAL 12 2HG2 VAL 12 0.872 -1.047 -1.370 86 3HG2 VAL 12 3HG2 VAL 12 1.897 -1.216 -2.793 87 H TYR 13 H TYR 13 1.326 -4.232 1.805 88 HA TYR 13 HA TYR 13 3.695 -5.844 2.238 89 2HB TYR 13 2HB TYR 13 2.075 -7.356 3.454 90 HD1 TYR 13 1HD TYR 13 4.220 -6.236 4.621 91 HD2 TYR 13 2HD TYR 13 0.275 -4.648 4.684 92 HE1 TYR 13 1HE TYR 13 4.762 -4.991 6.670 93 HE2 TYR 13 2HE TYR 13 0.804 -3.399 6.734 94 HH TYR 13 HH TYR 13 2.385 -3.495 8.595 95 H GLY 14 H GLY 14 4.373 -7.202 0.739 96 1HA GLY 14 1HA GLY 14 2.357 -8.516 -0.979 97 2HA GLY 14 2HA GLY 14 3.882 -7.910 -1.616 98 H ARG 15 H ARG 15 3.800 -10.294 -2.308 99 HA ARG 15 HA ARG 15 5.637 -11.703 -0.614 100 2HB ARG 15 2HB ARG 15 3.689 -12.499 0.491 101 2HG ARG 15 2HG ARG 15 2.543 -12.955 -2.244 102 2HD ARG 15 2HD ARG 15 0.582 -13.909 -0.917 103 HE ARG 15 HE ARG 15 1.805 -15.504 -2.198 104 1HH1 ARG 15 1HH1 ARG 15 2.859 -15.211 1.128 105 2HH1 ARG 15 2HH1 ARG 15 3.744 -16.705 1.120 106 1HH2 ARG 15 1HH2 ARG 15 2.901 -17.517 -2.193 107 2HH2 ARG 15 2HH2 ARG 15 3.738 -18.032 -0.755 108 H GLU 16 H GLU 16 6.645 -13.444 -1.647 109 HA GLU 16 HA GLU 16 6.732 -13.337 -4.493 110 2HB GLU 16 2HB GLU 16 8.388 -15.092 -4.331 111 2HG GLU 16 2HG GLU 16 8.878 -12.737 -3.271 112 H GLY 17 H GLY 17 4.387 -13.695 -4.730 113 1HA GLY 17 1HA GLY 17 3.583 -15.886 -5.976 114 2HA GLY 17 2HA GLY 17 3.483 -16.437 -4.311 115 H CYS 18 H CYS 18 2.588 -13.552 -6.160 116 HA CYS 18 HA CYS 18 -0.186 -13.917 -5.863 117 2HB CYS 18 2HB CYS 18 0.943 -11.678 -4.162 118 HG CYS 18 HG CYS 18 -2.208 -12.861 -3.770 119 H HIS 19 H HIS 19 -0.856 -13.107 -7.732 120 HA HIS 19 HA HIS 19 0.864 -11.441 -9.279 121 2HB HIS 19 2HB HIS 19 -1.955 -12.406 -9.785 122 HD1 HIS 19 1HD HIS 19 0.926 -11.583 -12.120 123 HD2 HIS 19 2HD HIS 19 -3.038 -10.538 -11.435 124 HE1 HIS 19 1HE HIS 19 0.295 -10.031 -14.001 125 H LEU 20 H LEU 20 -1.999 -10.852 -7.347 126 HA LEU 20 HA LEU 20 -2.959 -8.541 -8.521 127 2HB LEU 20 2HB LEU 20 -3.889 -8.007 -6.228 128 HG LEU 20 HG LEU 20 -4.372 -10.863 -7.067 129 1HD1 LEU 20 1HD1 LEU 20 -5.342 -10.171 -4.902 130 2HD1 LEU 20 2HD1 LEU 20 -6.568 -10.534 -6.115 131 3HD1 LEU 20 3HD1 LEU 20 -6.191 -8.856 -5.726 132 1HD2 LEU 20 1HD2 LEU 20 -6.091 -10.012 -8.554 133 2HD2 LEU 20 2HD2 LEU 20 -4.518 -9.354 -9.003 134 3HD2 LEU 20 3HD2 LEU 20 -5.672 -8.353 -8.123 135 H CYS 21 H CYS 21 -0.200 -8.868 -6.411 136 HA CYS 21 HA CYS 21 0.123 -6.245 -5.556 137 2HB CYS 21 2HB CYS 21 2.506 -6.774 -5.340 138 HG CYS 21 HG CYS 21 0.292 -8.151 -3.691 139 H GLU 22 H GLU 22 0.774 -7.690 -8.684 140 HA GLU 22 HA GLU 22 2.315 -5.605 -9.816 141 2HB GLU 22 2HB GLU 22 1.512 -6.584 -11.999 142 2HG GLU 22 2HG GLU 22 2.363 -8.963 -11.504 143 H GLU 23 H GLU 23 -1.148 -6.360 -9.987 144 HA GLU 23 HA GLU 23 -2.017 -4.224 -11.524 145 2HB GLU 23 2HB GLU 23 -4.192 -4.520 -10.145 146 2HG GLU 23 2HG GLU 23 -3.995 -5.610 -12.277 147 H MET 24 H MET 24 -1.770 -4.437 -7.998 148 HA MET 24 HA MET 24 -2.757 -1.887 -7.410 149 2HB MET 24 2HB MET 24 -1.635 -2.078 -5.254 150 2HG MET 24 2HG MET 24 -2.523 -4.855 -5.957 151 1HE MET 24 1HE MET 24 -4.212 -2.411 -3.440 152 2HE MET 24 2HE MET 24 -2.555 -1.807 -3.445 153 3HE MET 24 3HE MET 24 -3.208 -2.586 -2.001 154 H ILE 25 H ILE 25 0.634 -2.946 -7.720 155 HA ILE 25 HA ILE 25 1.804 -0.476 -7.203 156 HB ILE 25 HB ILE 25 2.801 -2.764 -8.895 157 2HG1 ILE 25 2HG1 ILE 25 2.424 -3.192 -6.474 158 1HG2 ILE 25 1HG2 ILE 25 4.331 -0.348 -7.917 159 2HG2 ILE 25 2HG2 ILE 25 3.922 -0.715 -9.595 160 3HG2 ILE 25 3HG2 ILE 25 5.028 -1.763 -8.708 161 1HD1 ILE 25 1HD1 ILE 25 4.277 -4.376 -7.566 162 2HD1 ILE 25 2HD1 ILE 25 4.602 -4.029 -5.867 163 3HD1 ILE 25 3HD1 ILE 25 5.358 -3.053 -7.129 164 H ALA 26 H ALA 26 0.974 -1.896 -10.381 165 HA ALA 26 HA ALA 26 1.881 0.227 -11.953 166 1HB ALA 26 1HB ALA 26 1.266 -1.944 -12.887 167 2HB ALA 26 2HB ALA 26 0.411 -0.631 -13.701 168 3HB ALA 26 3HB ALA 26 -0.430 -1.626 -12.514 169 H SER 27 H SER 27 -1.186 -0.250 -10.313 170 HA SER 27 HA SER 27 -2.511 2.000 -11.420 171 2HB SER 27 2HB SER 27 -4.126 1.649 -9.575 172 HG SER 27 HG SER 27 -3.311 -0.908 -10.459 173 H LEU 28 H LEU 28 -0.654 1.478 -8.449 174 HA LEU 28 HA LEU 28 -1.167 4.002 -7.298 175 2HB LEU 28 2HB LEU 28 0.771 3.508 -5.853 176 HG LEU 28 HG LEU 28 -0.883 1.015 -6.235 177 1HD1 LEU 28 1HD1 LEU 28 1.060 0.674 -4.835 178 2HD1 LEU 28 2HD1 LEU 28 -0.410 0.655 -3.862 179 3HD1 LEU 28 3HD1 LEU 28 0.630 2.080 -3.861 180 1HD2 LEU 28 1HD2 LEU 28 -2.335 2.944 -5.990 181 2HD2 LEU 28 2HD2 LEU 28 -1.434 3.466 -4.569 182 3HD2 LEU 28 3HD2 LEU 28 -2.362 1.967 -4.522 183 H ARG 29 H ARG 29 1.367 2.857 -9.471 184 HA ARG 29 HA ARG 29 3.146 5.004 -9.261 185 2HB ARG 29 2HB ARG 29 3.993 4.302 -11.454 186 2HG ARG 29 2HG ARG 29 4.284 1.866 -11.035 187 2HD ARG 29 2HD ARG 29 5.114 2.326 -8.540 188 HE ARG 29 HE ARG 29 6.471 2.183 -10.729 189 1HH1 ARG 29 1HH1 ARG 29 6.256 5.036 -8.699 190 2HH1 ARG 29 2HH1 ARG 29 7.876 5.550 -9.047 191 1HH2 ARG 29 1HH2 ARG 29 8.593 2.860 -11.183 192 2HH2 ARG 29 2HH2 ARG 29 9.217 4.309 -10.450 193 H VAL 30 H VAL 30 0.221 4.635 -11.169 194 HA VAL 30 HA VAL 30 0.620 7.076 -12.627 195 HB VAL 30 HB VAL 30 -1.875 5.400 -12.302 196 1HG1 VAL 30 1HG1 VAL 30 -2.722 6.545 -14.278 197 2HG1 VAL 30 2HG1 VAL 30 -1.274 7.550 -14.337 198 3HG1 VAL 30 3HG1 VAL 30 -2.397 7.701 -12.986 199 1HG2 VAL 30 1HG2 VAL 30 -0.101 4.134 -13.334 200 2HG2 VAL 30 2HG2 VAL 30 0.235 5.454 -14.456 201 3HG2 VAL 30 3HG2 VAL 30 -1.288 4.569 -14.562 202 H LEU 31 H LEU 31 -1.050 6.117 -9.691 203 HA LEU 31 HA LEU 31 -2.460 8.570 -9.319 204 2HB LEU 31 2HB LEU 31 -1.701 7.030 -6.919 205 HG LEU 31 HG LEU 31 -4.451 7.608 -8.028 206 1HD1 LEU 31 1HD1 LEU 31 -4.339 5.716 -6.475 207 2HD1 LEU 31 2HD1 LEU 31 -5.213 7.084 -5.788 208 3HD1 LEU 31 3HD1 LEU 31 -3.557 6.753 -5.280 209 1HD2 LEU 31 1HD2 LEU 31 -3.296 9.694 -7.541 210 2HD2 LEU 31 2HD2 LEU 31 -2.879 9.100 -5.932 211 3HD2 LEU 31 3HD2 LEU 31 -4.566 9.387 -6.357 212 H GLN 32 H GLN 32 0.725 7.386 -8.531 213 HA GLN 32 HA GLN 32 1.539 9.317 -6.676 214 2HB GLN 32 2HB GLN 32 3.863 8.788 -7.506 215 2HG GLN 32 2HG GLN 32 2.085 6.423 -6.944 216 1HE2 GLN 32 1HE2 GLN 32 4.040 5.628 -4.949 217 2HE2 GLN 32 2HE2 GLN 32 5.334 4.879 -5.816 218 H LYS 33 H LYS 33 0.954 9.592 -10.054 219 HA LYS 33 HA LYS 33 2.587 11.936 -10.424 220 2HB LYS 33 2HB LYS 33 1.639 12.026 -12.658 221 2HG LYS 33 2HG LYS 33 2.023 9.103 -12.157 222 2HD LYS 33 2HD LYS 33 3.343 9.284 -14.219 223 2HE LYS 33 2HE LYS 33 0.547 10.388 -14.347 224 1HZ LYS 33 1HZ LYS 33 0.704 9.426 -16.676 225 2HZ LYS 33 2HZ LYS 33 2.389 9.522 -16.492 226 3HZ LYS 33 3HZ LYS 33 1.444 10.925 -16.408 227 H LYS 34 H LYS 34 -0.513 11.264 -9.217 228 HA LYS 34 HA LYS 34 -1.403 14.040 -9.530 229 2HB LYS 34 2HB LYS 34 -3.418 13.066 -8.185 230 2HG LYS 34 2HG LYS 34 -3.592 13.617 -10.584 231 2HD LYS 34 2HD LYS 34 -2.618 10.785 -10.905 232 2HE LYS 34 2HE LYS 34 -4.630 10.973 -12.224 233 1HZ LYS 34 1HZ LYS 34 -4.738 13.408 -12.354 234 2HZ LYS 34 2HZ LYS 34 -4.907 12.679 -13.875 235 3HZ LYS 34 3HZ LYS 34 -3.437 13.408 -13.449 236 H SER 35 H SER 35 -0.785 11.597 -7.066 237 HA SER 35 HA SER 35 -0.038 13.685 -5.157 238 2HB SER 35 2HB SER 35 -1.402 12.700 -3.394 239 HG SER 35 HG SER 35 -2.478 14.199 -4.756 240 H TRP 36 H TRP 36 1.944 13.165 -4.388 241 HA TRP 36 HA TRP 36 2.989 10.530 -4.895 242 2HB TRP 36 2HB TRP 36 4.314 12.810 -3.414 243 HD1 TRP 36 HD TRP 36 6.011 11.445 -1.961 244 HE1 TRP 36 1HE TRP 36 7.862 9.731 -2.497 245 HE3 TRP 36 3HE TRP 36 4.943 10.614 -6.889 246 HZ2 TRP 36 2HZ TRP 36 8.735 8.232 -4.701 247 HZ3 TRP 36 3HZ TRP 36 6.338 9.014 -8.142 248 HH2 TRP 36 HH TRP 36 8.195 7.851 -7.069 249 H PHE 37 H PHE 37 3.186 8.899 -3.521 250 HA PHE 37 HA PHE 37 2.916 9.400 -0.655 251 2HB PHE 37 2HB PHE 37 0.697 8.809 -1.140 252 HD1 PHE 37 1HD PHE 37 -0.403 8.849 -3.175 253 HD2 PHE 37 2HD PHE 37 2.239 5.623 -2.321 254 HE1 PHE 37 1HE PHE 37 -1.172 7.688 -5.201 255 HE2 PHE 37 2HE PHE 37 1.472 4.459 -4.343 256 HZ PHE 37 HZ PHE 37 -0.234 5.491 -5.787 257 H GLU 38 H GLU 38 5.035 8.503 -2.676 258 HA GLU 38 HA GLU 38 6.781 7.047 -2.794 259 2HB GLU 38 2HB GLU 38 7.396 5.861 -0.647 260 2HG GLU 38 2HG GLU 38 7.596 8.062 0.705 261 H LEU 39 H LEU 39 7.365 4.602 -2.356 262 HA LEU 39 HA LEU 39 5.046 2.907 -2.115 263 2HB LEU 39 2HB LEU 39 6.691 2.597 -4.611 264 HG LEU 39 HG LEU 39 5.515 0.577 -4.223 265 1HD1 LEU 39 1HD1 LEU 39 3.127 0.511 -3.663 266 2HD1 LEU 39 2HD1 LEU 39 3.094 2.274 -3.603 267 3HD1 LEU 39 3HD1 LEU 39 4.055 1.371 -2.432 268 1HD2 LEU 39 1HD2 LEU 39 5.281 1.457 -6.497 269 2HD2 LEU 39 2HD2 LEU 39 3.812 2.305 -6.020 270 3HD2 LEU 39 3HD2 LEU 39 3.853 0.544 -6.015 271 H GLU 40 H GLU 40 5.692 1.589 -0.592 272 HA GLU 40 HA GLU 40 8.393 0.430 -0.790 273 2HB GLU 40 2HB GLU 40 6.700 0.828 1.681 274 2HG GLU 40 2HG GLU 40 9.477 -0.217 1.304 275 H VAL 41 H VAL 41 8.391 -1.644 -1.347 276 HA VAL 41 HA VAL 41 5.958 -3.224 -0.860 277 HB VAL 41 HB VAL 41 8.199 -3.802 -2.810 278 1HG1 VAL 41 1HG1 VAL 41 7.074 -5.821 -2.079 279 2HG1 VAL 41 2HG1 VAL 41 6.623 -5.453 -3.743 280 3HG1 VAL 41 3HG1 VAL 41 5.505 -5.102 -2.428 281 1HG2 VAL 41 1HG2 VAL 41 6.648 -3.122 -4.560 282 2HG2 VAL 41 2HG2 VAL 41 6.944 -1.793 -3.438 283 3HG2 VAL 41 3HG2 VAL 41 5.439 -2.710 -3.344 284 H ILE 42 H ILE 42 6.070 -4.511 0.844 285 HA ILE 42 HA ILE 42 8.709 -5.541 1.650 286 HB ILE 42 HB ILE 42 6.302 -5.006 3.392 287 2HG1 ILE 42 2HG1 ILE 42 7.423 -2.971 2.548 288 1HG2 ILE 42 1HG2 ILE 42 7.614 -6.886 4.220 289 2HG2 ILE 42 2HG2 ILE 42 7.832 -5.485 5.265 290 3HG2 ILE 42 3HG2 ILE 42 9.088 -5.928 4.111 291 1HD1 ILE 42 1HD1 ILE 42 6.553 -2.901 4.838 292 2HD1 ILE 42 2HD1 ILE 42 7.970 -1.872 4.611 293 3HD1 ILE 42 3HD1 ILE 42 8.129 -3.429 5.428 294 H ASN 43 H ASN 43 8.965 -7.596 1.199 295 HA ASN 43 HA ASN 43 6.818 -9.356 0.567 296 2HB ASN 43 2HB ASN 43 8.721 -11.073 0.511 297 1HD2 ASN 43 1HD2 ASN 43 7.891 -11.314 -1.480 298 2HD2 ASN 43 2HD2 ASN 43 8.289 -10.296 -2.824 299 H ILE 44 H ILE 44 5.580 -10.385 1.951 300 HA ILE 44 HA ILE 44 6.377 -10.673 4.718 301 HB ILE 44 HB ILE 44 4.139 -11.496 5.130 302 2HG1 ILE 44 2HG1 ILE 44 4.041 -12.760 2.905 303 1HG2 ILE 44 1HG2 ILE 44 4.150 -9.112 3.285 304 2HG2 ILE 44 2HG2 ILE 44 4.426 -9.095 5.027 305 3HG2 ILE 44 3HG2 ILE 44 2.842 -9.538 4.389 306 1HD1 ILE 44 1HD1 ILE 44 1.641 -12.639 2.662 307 2HD1 ILE 44 2HD1 ILE 44 1.598 -11.154 3.610 308 3HD1 ILE 44 3HD1 ILE 44 2.082 -12.670 4.369 309 H ASP 45 H ASP 45 6.285 -12.656 1.881 310 HA ASP 45 HA ASP 45 5.789 -15.148 3.147 311 2HB ASP 45 2HB ASP 45 7.183 -14.692 0.507 312 H GLY 46 H GLY 46 8.644 -13.257 2.727 313 1HA GLY 46 1HA GLY 46 10.427 -15.437 3.446 314 2HA GLY 46 2HA GLY 46 10.884 -13.762 3.164 315 H ASN 47 H ASN 47 8.216 -14.308 5.221 316 HA ASN 47 HA ASN 47 9.823 -14.204 7.667 317 2HB ASN 47 2HB ASN 47 7.569 -12.264 7.077 318 1HD2 ASN 47 1HD2 ASN 47 10.447 -11.587 8.844 319 2HD2 ASN 47 2HD2 ASN 47 9.713 -11.452 10.408 320 H GLU 48 H GLU 48 9.052 -15.746 8.977 321 HA GLU 48 HA GLU 48 6.850 -17.341 8.394 322 2HB GLU 48 2HB GLU 48 8.067 -16.906 11.128 323 2HG GLU 48 2HG GLU 48 6.876 -19.437 10.048 324 H HIS 49 H HIS 49 7.061 -14.447 10.366 325 HA HIS 49 HA HIS 49 4.515 -14.882 11.629 326 2HB HIS 49 2HB HIS 49 4.875 -12.532 12.479 327 HD1 HIS 49 1HD HIS 49 8.352 -13.898 12.550 328 HD2 HIS 49 2HD HIS 49 4.851 -14.152 14.793 329 HE1 HIS 49 1HE HIS 49 9.010 -14.972 14.726 330 H LEU 50 H LEU 50 5.751 -12.540 9.235 331 HA LEU 50 HA LEU 50 3.257 -11.283 8.842 332 2HB LEU 50 2HB LEU 50 4.286 -10.419 6.726 333 HG LEU 50 HG LEU 50 6.175 -10.147 9.062 334 1HD1 LEU 50 1HD1 LEU 50 6.647 -7.968 8.090 335 2HD1 LEU 50 2HD1 LEU 50 5.520 -8.300 6.776 336 3HD1 LEU 50 3HD1 LEU 50 6.993 -9.257 6.938 337 1HD2 LEU 50 1HD2 LEU 50 3.889 -9.721 9.805 338 2HD2 LEU 50 2HD2 LEU 50 3.656 -8.595 8.469 339 3HD2 LEU 50 3HD2 LEU 50 4.820 -8.226 9.740 340 H THR 51 H THR 51 4.754 -14.065 7.275 341 HA THR 51 HA THR 51 2.965 -14.384 5.156 342 HB THR 51 HB THR 51 4.267 -16.580 6.786 343 HG1 THR 51 1HG THR 51 5.753 -15.092 5.790 344 1HG2 THR 51 1HG2 THR 51 3.954 -17.968 4.798 345 2HG2 THR 51 2HG2 THR 51 3.124 -16.638 3.992 346 3HG2 THR 51 3HG2 THR 51 2.401 -17.394 5.412 347 H ARG 52 H ARG 52 2.788 -15.745 8.441 348 HA ARG 52 HA ARG 52 0.288 -16.999 8.072 349 2HB ARG 52 2HB ARG 52 0.279 -16.928 10.661 350 2HG ARG 52 2HG ARG 52 2.583 -18.229 9.219 351 2HD ARG 52 2HD ARG 52 1.400 -18.625 11.949 352 HE ARG 52 HE ARG 52 1.675 -20.808 10.610 353 1HH1 ARG 52 1HH1 ARG 52 4.208 -19.330 12.533 354 2HH1 ARG 52 2HH1 ARG 52 4.965 -20.840 12.921 355 1HH2 ARG 52 1HH2 ARG 52 2.671 -22.789 11.108 356 2HH2 ARG 52 2HH2 ARG 52 4.079 -22.820 12.134 357 H LEU 53 H LEU 53 1.197 -13.778 9.031 358 HA LEU 53 HA LEU 53 -1.333 -13.014 10.082 359 2HB LEU 53 2HB LEU 53 -0.392 -10.670 9.712 360 HG LEU 53 HG LEU 53 1.209 -12.627 11.365 361 1HD1 LEU 53 1HD1 LEU 53 2.113 -10.682 12.514 362 2HD1 LEU 53 2HD1 LEU 53 1.268 -9.613 11.396 363 3HD1 LEU 53 3HD1 LEU 53 2.560 -10.657 10.805 364 1HD2 LEU 53 1HD2 LEU 53 -1.122 -12.383 12.032 365 2HD2 LEU 53 2HD2 LEU 53 -0.939 -10.628 12.061 366 3HD2 LEU 53 3HD2 LEU 53 -0.053 -11.627 13.215 367 H TYR 54 H TYR 54 0.181 -12.555 6.876 368 HA TYR 54 HA TYR 54 -2.330 -11.260 6.030 369 2HB TYR 54 2HB TYR 54 -0.926 -10.112 4.304 370 HD1 TYR 54 1HD TYR 54 1.152 -10.117 7.360 371 HD2 TYR 54 2HD TYR 54 -1.982 -8.189 5.228 372 HE1 TYR 54 1HE TYR 54 1.318 -8.191 8.878 373 HE2 TYR 54 2HE TYR 54 -1.831 -6.255 6.738 374 HH TYR 54 HH TYR 54 -1.002 -5.545 8.764 375 H ASN 55 H ASN 55 -1.055 -14.219 5.728 376 HA ASN 55 HA ASN 55 -0.783 -14.628 2.965 377 2HB ASN 55 2HB ASN 55 -1.847 -16.668 4.926 378 1HD2 ASN 55 1HD2 ASN 55 -1.641 -18.782 4.267 379 2HD2 ASN 55 2HD2 ASN 55 -1.348 -19.226 2.619 380 H ASP 56 H ASP 56 -2.107 -14.977 1.340 381 HA ASP 56 HA ASP 56 -3.938 -15.285 0.058 382 2HB ASP 56 2HB ASP 56 -5.376 -15.921 2.635 383 H ARG 57 H ARG 57 -4.157 -13.113 2.779 384 HA ARG 57 HA ARG 57 -6.187 -11.563 1.328 385 2HB ARG 57 2HB ARG 57 -6.768 -10.645 3.608 386 2HG ARG 57 2HG ARG 57 -7.088 -13.625 3.354 387 2HD ARG 57 2HD ARG 57 -8.565 -11.552 4.958 388 HE ARG 57 HE ARG 57 -9.943 -13.460 3.807 389 1HH1 ARG 57 1HH1 ARG 57 -8.608 -13.477 7.045 390 2HH1 ARG 57 2HH1 ARG 57 -9.866 -14.485 7.697 391 1HH2 ARG 57 1HH2 ARG 57 -11.618 -14.735 4.671 392 2HH2 ARG 57 2HH2 ARG 57 -11.589 -15.188 6.351 393 H VAL 58 H VAL 58 -3.446 -11.456 0.786 394 HA VAL 58 HA VAL 58 -2.211 -9.440 2.329 395 HB VAL 58 HB VAL 58 -0.933 -9.742 -0.213 396 1HG1 VAL 58 1HG1 VAL 58 -0.184 -10.580 2.570 397 2HG1 VAL 58 2HG1 VAL 58 0.141 -9.015 1.826 398 3HG1 VAL 58 3HG1 VAL 58 0.921 -10.467 1.202 399 1HG2 VAL 58 1HG2 VAL 58 -0.328 -12.139 -0.013 400 2HG2 VAL 58 2HG2 VAL 58 -2.025 -11.882 -0.419 401 3HG2 VAL 58 3HG2 VAL 58 -1.570 -12.315 1.228 402 HA PRO 59 HA PRO 59 -1.232 -7.008 -1.448 403 2HB PRO 59 2HB PRO 59 -2.470 -6.591 -3.391 404 2HG PRO 59 2HG PRO 59 -2.048 -8.809 -3.709 405 2HD PRO 59 2HD PRO 59 -1.664 -9.938 -1.796 406 H VAL 60 H VAL 60 -1.159 -6.000 0.654 407 HA VAL 60 HA VAL 60 -3.574 -4.522 1.443 408 HB VAL 60 HB VAL 60 -2.074 -4.694 3.743 409 1HG1 VAL 60 1HG1 VAL 60 -4.512 -5.156 3.449 410 2HG1 VAL 60 2HG1 VAL 60 -3.690 -6.298 4.514 411 3HG1 VAL 60 3HG1 VAL 60 -4.087 -6.767 2.861 412 1HG2 VAL 60 1HG2 VAL 60 -1.317 -6.980 3.979 413 2HG2 VAL 60 2HG2 VAL 60 -0.472 -6.204 2.637 414 3HG2 VAL 60 3HG2 VAL 60 -1.791 -7.339 2.318 415 H LEU 61 H LEU 61 -3.476 -2.396 1.506 416 HA LEU 61 HA LEU 61 -0.901 -1.050 1.326 417 2HB LEU 61 2HB LEU 61 -2.488 1.021 1.304 418 HG LEU 61 HG LEU 61 -2.564 -0.903 -1.018 419 1HD1 LEU 61 1HD1 LEU 61 -4.291 0.808 -1.182 420 2HD1 LEU 61 2HD1 LEU 61 -3.013 1.082 -2.366 421 3HD1 LEU 61 3HD1 LEU 61 -3.083 2.062 -0.902 422 1HD2 LEU 61 1HD2 LEU 61 -0.283 -0.403 -0.404 423 2HD2 LEU 61 2HD2 LEU 61 -0.655 1.323 -0.321 424 3HD2 LEU 61 3HD2 LEU 61 -0.703 0.485 -1.873 425 H PHE 62 H PHE 62 0.145 -0.638 3.090 426 HA PHE 62 HA PHE 62 -1.240 -0.264 5.626 427 2HB PHE 62 2HB PHE 62 1.695 -0.497 4.921 428 HD1 PHE 62 1HD PHE 62 -0.131 -1.649 7.909 429 HD2 PHE 62 2HD PHE 62 2.724 1.095 6.347 430 HE1 PHE 62 1HE PHE 62 0.513 -1.016 10.198 431 HE2 PHE 62 2HE PHE 62 3.367 1.732 8.634 432 HZ PHE 62 HZ PHE 62 2.263 0.675 10.560 433 H ALA 63 H ALA 63 -1.738 1.686 6.313 434 HA ALA 63 HA ALA 63 -0.704 4.029 4.980 435 1HB ALA 63 1HB ALA 63 -2.638 3.802 7.282 436 2HB ALA 63 2HB ALA 63 -3.076 3.891 5.577 437 3HB ALA 63 3HB ALA 63 -2.290 5.263 6.361 438 H VAL 64 H VAL 64 1.342 4.486 5.517 439 HA VAL 64 HA VAL 64 2.523 4.096 8.051 440 HB VAL 64 HB VAL 64 3.341 6.031 5.867 441 1HG1 VAL 64 1HG1 VAL 64 4.468 6.507 7.971 442 2HG1 VAL 64 2HG1 VAL 64 5.597 5.821 6.801 443 3HG1 VAL 64 3HG1 VAL 64 4.958 4.818 8.104 444 1HG2 VAL 64 1HG2 VAL 64 4.814 4.247 5.085 445 2HG2 VAL 64 2HG2 VAL 64 3.120 3.758 5.025 446 3HG2 VAL 64 3HG2 VAL 64 4.164 3.166 6.319 447 H ASN 65 H ASN 65 2.961 5.570 9.688 448 HA ASN 65 HA ASN 65 2.764 7.416 11.014 449 2HB ASN 65 2HB ASN 65 1.529 9.447 10.349 450 1HD2 ASN 65 1HD2 ASN 65 2.401 8.532 7.165 451 2HD2 ASN 65 2HD2 ASN 65 3.968 9.271 7.139 452 H GLU 66 H GLU 66 -0.021 5.924 9.531 453 HA GLU 66 HA GLU 66 -1.615 6.464 11.923 454 2HB GLU 66 2HB GLU 66 -3.348 5.082 10.568 455 2HG GLU 66 2HG GLU 66 -2.571 7.671 9.275 456 H ASP 67 H ASP 67 -0.067 3.835 10.197 457 HA ASP 67 HA ASP 67 0.452 1.697 10.754 458 2HB ASP 67 2HB ASP 67 -0.480 2.376 13.556 459 H LYS 68 H LYS 68 -1.264 1.160 9.336 460 HA LYS 68 HA LYS 68 -3.250 -0.582 10.275 461 2HB LYS 68 2HB LYS 68 -4.372 1.374 11.177 462 2HG LYS 68 2HG LYS 68 -4.365 2.570 8.418 463 2HD LYS 68 2HD LYS 68 -4.803 4.639 9.966 464 2HE LYS 68 2HE LYS 68 -7.068 2.696 9.617 465 1HZ LYS 68 1HZ LYS 68 -6.842 5.657 9.486 466 2HZ LYS 68 2HZ LYS 68 -7.651 4.749 10.666 467 3HZ LYS 68 3HZ LYS 68 -8.244 4.786 9.077 468 H GLU 69 H GLU 69 -4.529 -1.441 8.479 469 HA GLU 69 HA GLU 69 -3.402 -0.763 5.869 470 2HB GLU 69 2HB GLU 69 -4.577 -2.746 5.032 471 2HG GLU 69 2HG GLU 69 -2.365 -3.000 6.318 472 H LEU 70 H LEU 70 -4.580 0.146 4.223 473 HA LEU 70 HA LEU 70 -7.112 1.367 4.937 474 2HB LEU 70 2HB LEU 70 -7.023 2.342 2.658 475 HG LEU 70 HG LEU 70 -4.349 2.724 3.993 476 1HD1 LEU 70 1HD1 LEU 70 -4.523 4.953 2.942 477 2HD1 LEU 70 2HD1 LEU 70 -6.003 4.430 2.134 478 3HD1 LEU 70 3HD1 LEU 70 -4.473 3.640 1.762 479 1HD2 LEU 70 1HD2 LEU 70 -6.956 4.160 4.515 480 2HD2 LEU 70 2HD2 LEU 70 -5.388 4.557 5.222 481 3HD2 LEU 70 3HD2 LEU 70 -6.172 3.028 5.616 482 H CYS 71 H CYS 71 -6.067 -0.534 2.131 483 HA CYS 71 HA CYS 71 -8.477 -2.151 2.310 484 2HB CYS 71 2HB CYS 71 -7.728 -0.757 -0.272 485 HG CYS 71 HG CYS 71 -10.769 -2.130 0.443 486 H HIS 72 H HIS 72 -8.320 -3.892 0.474 487 HA HIS 72 HA HIS 72 -5.556 -4.635 -0.024 488 2HB HIS 72 2HB HIS 72 -5.725 -5.672 2.066 489 HD1 HIS 72 1HD HIS 72 -7.124 -6.046 4.059 490 HD2 HIS 72 2HD HIS 72 -9.201 -6.855 0.541 491 HE1 HIS 72 1HE HIS 72 -9.453 -6.657 4.768 492 H TYR 73 H TYR 73 -5.506 -6.839 -1.153 493 HA TYR 73 HA TYR 73 -6.124 -8.301 -2.769 494 2HB TYR 73 2HB TYR 73 -8.455 -8.261 -3.736 495 HD1 TYR 73 1HD TYR 73 -6.698 -9.926 -1.937 496 HD2 TYR 73 2HD TYR 73 -10.448 -8.039 -1.259 497 HE1 TYR 73 1HE TYR 73 -7.224 -11.604 -0.232 498 HE2 TYR 73 2HE TYR 73 -10.987 -9.715 0.456 499 HH TYR 73 HH TYR 73 -10.291 -12.093 0.983 500 H PHE 74 H PHE 74 -8.019 -5.492 -3.860 501 HA PHE 74 HA PHE 74 -6.348 -5.565 -6.281 502 2HB PHE 74 2HB PHE 74 -8.447 -4.530 -7.370 503 HD1 PHE 74 1HD PHE 74 -7.930 -6.048 -9.098 504 HD2 PHE 74 2HD PHE 74 -9.371 -7.500 -5.365 505 HE1 PHE 74 1HE PHE 74 -8.246 -8.275 -10.093 506 HE2 PHE 74 2HE PHE 74 -9.684 -9.733 -6.352 507 HZ PHE 74 HZ PHE 74 -9.126 -10.121 -8.719 508 H LEU 75 H LEU 75 -8.757 -3.181 -5.342 509 HA LEU 75 HA LEU 75 -7.088 -1.206 -4.324 510 2HB LEU 75 2HB LEU 75 -7.654 -0.734 -7.246 511 HG LEU 75 HG LEU 75 -7.217 1.277 -5.841 512 1HD1 LEU 75 1HD1 LEU 75 -5.686 0.151 -4.253 513 2HD1 LEU 75 2HD1 LEU 75 -5.028 1.644 -4.925 514 3HD1 LEU 75 3HD1 LEU 75 -4.468 0.085 -5.530 515 1HD2 LEU 75 1HD2 LEU 75 -6.710 1.268 -8.220 516 2HD2 LEU 75 2HD2 LEU 75 -5.114 0.596 -7.886 517 3HD2 LEU 75 3HD2 LEU 75 -5.519 2.218 -7.327 518 H ASP 76 H ASP 76 -8.259 0.632 -3.783 519 HA ASP 76 HA ASP 76 -10.877 1.002 -5.019 520 2HB ASP 76 2HB ASP 76 -10.509 1.087 -2.018 521 H SER 77 H SER 77 -10.737 2.939 -5.878 522 HA SER 77 HA SER 77 -8.748 4.813 -5.258 523 2HB SER 77 2HB SER 77 -9.667 6.095 -6.984 524 HG SER 77 HG SER 77 -9.228 4.261 -8.037 525 H ASP 78 H ASP 78 -11.937 4.353 -4.003 526 HA ASP 78 HA ASP 78 -12.338 7.024 -3.080 527 2HB ASP 78 2HB ASP 78 -13.742 4.418 -2.492 528 H VAL 79 H VAL 79 -11.532 3.957 -1.462 529 HA VAL 79 HA VAL 79 -11.330 5.072 1.121 530 HB VAL 79 HB VAL 79 -10.188 2.527 -0.023 531 1HG1 VAL 79 1HG1 VAL 79 -8.766 3.248 1.843 532 2HG1 VAL 79 2HG1 VAL 79 -9.723 1.828 2.276 533 3HG1 VAL 79 3HG1 VAL 79 -10.197 3.422 2.861 534 1HG2 VAL 79 1HG2 VAL 79 -12.513 3.158 1.784 535 2HG2 VAL 79 2HG2 VAL 79 -11.967 1.529 1.388 536 3HG2 VAL 79 3HG2 VAL 79 -12.592 2.579 0.118 537 H ILE 80 H ILE 80 -8.766 4.356 -1.285 538 HA ILE 80 HA ILE 80 -6.725 5.418 0.403 539 HB ILE 80 HB ILE 80 -6.080 3.893 -1.368 540 2HG1 ILE 80 2HG1 ILE 80 -5.001 6.686 -1.778 541 1HG2 ILE 80 1HG2 ILE 80 -7.736 4.434 -3.022 542 2HG2 ILE 80 2HG2 ILE 80 -6.119 4.568 -3.715 543 3HG2 ILE 80 3HG2 ILE 80 -7.011 6.021 -3.267 544 1HD1 ILE 80 1HD1 ILE 80 -3.827 4.432 -0.187 545 2HD1 ILE 80 2HD1 ILE 80 -4.775 5.745 0.509 546 3HD1 ILE 80 3HD1 ILE 80 -3.251 6.097 -0.302 547 H GLY 81 H GLY 81 -8.919 6.782 -1.951 548 1HA GLY 81 1HA GLY 81 -7.721 9.327 -2.200 549 2HA GLY 81 2HA GLY 81 -9.419 8.955 -2.474 550 H ALA 82 H ALA 82 -9.485 7.844 0.353 551 HA ALA 82 HA ALA 82 -10.272 10.259 1.680 552 1HB ALA 82 1HB ALA 82 -11.461 8.139 2.035 553 2HB ALA 82 2HB ALA 82 -10.833 8.786 3.552 554 3HB ALA 82 3HB ALA 82 -10.007 7.446 2.753 555 H TYR 83 H TYR 83 -7.516 8.098 1.750 556 HA TYR 83 HA TYR 83 -6.310 9.443 4.018 557 2HB TYR 83 2HB TYR 83 -5.352 7.181 2.252 558 HD1 TYR 83 1HD TYR 83 -3.057 7.513 1.905 559 HD2 TYR 83 2HD TYR 83 -4.678 8.030 5.803 560 HE1 TYR 83 1HE TYR 83 -0.780 7.666 2.829 561 HE2 TYR 83 2HE TYR 83 -2.409 8.193 6.738 562 HH TYR 83 HH TYR 83 -0.116 7.496 6.154 563 H LEU 84 H LEU 84 -5.835 9.185 0.532 564 HA LEU 84 HA LEU 84 -3.482 10.876 0.607 565 2HB LEU 84 2HB LEU 84 -4.225 10.605 -2.048 566 HG LEU 84 HG LEU 84 -2.585 8.735 -2.198 567 1HD1 LEU 84 1HD1 LEU 84 -0.639 10.063 -1.517 568 2HD1 LEU 84 2HD1 LEU 84 -1.698 11.129 -0.588 569 3HD1 LEU 84 3HD1 LEU 84 -1.842 11.056 -2.345 570 1HD2 LEU 84 1HD2 LEU 84 -2.428 9.088 0.783 571 2HD2 LEU 84 2HD2 LEU 84 -1.316 8.131 -0.197 572 3HD2 LEU 84 3HD2 LEU 84 -3.013 7.664 -0.078 573 H SER 85 H SER 85 -6.448 11.708 1.172 574 HA SER 85 HA SER 85 -6.802 13.864 -0.716 575 2HB SER 85 2HB SER 85 -8.281 13.585 1.894 576 HG SER 85 HG SER 85 -9.452 14.201 -0.568 Start of MODEL 20 1 HA MET 1 HA MET 1 3.041 32.059 2.702 2 2HB MET 1 2HB MET 1 0.647 31.486 3.141 3 2HG MET 1 2HG MET 1 1.236 34.432 3.304 4 1HE MET 1 1HE MET 1 0.084 35.855 5.249 5 2HE MET 1 2HE MET 1 0.518 34.614 6.424 6 3HE MET 1 3HE MET 1 -1.139 35.201 6.339 7 H ASN 2 H ASN 2 3.456 30.018 2.231 8 HA ASN 2 HA ASN 2 1.862 28.635 0.205 9 2HB ASN 2 2HB ASN 2 4.897 28.581 0.177 10 1HD2 ASN 2 1HD2 ASN 2 2.769 28.380 -2.540 11 2HD2 ASN 2 2HD2 ASN 2 3.066 26.715 -2.918 12 H ASN 3 H ASN 3 1.117 26.869 1.196 13 HA ASN 3 HA ASN 3 2.850 25.588 3.204 14 2HB ASN 3 2HB ASN 3 -0.166 25.802 3.320 15 1HD2 ASN 3 1HD2 ASN 3 2.208 25.809 5.871 16 2HD2 ASN 3 2HD2 ASN 3 1.706 24.320 6.600 17 H GLN 4 H GLN 4 3.178 23.477 2.995 18 HA GLN 4 HA GLN 4 1.416 21.948 1.205 19 2HB GLN 4 2HB GLN 4 3.445 22.554 -0.059 20 2HG GLN 4 2HG GLN 4 4.949 21.022 2.051 21 1HE2 GLN 4 1HE2 GLN 4 5.880 19.642 0.546 22 2HE2 GLN 4 2HE2 GLN 4 7.042 20.195 -0.615 23 H VAL 5 H VAL 5 1.601 19.599 1.569 24 HA VAL 5 HA VAL 5 1.994 19.057 4.406 25 HB VAL 5 HB VAL 5 0.855 16.935 4.009 26 1HG1 VAL 5 1HG1 VAL 5 -1.356 17.806 3.434 27 2HG1 VAL 5 2HG1 VAL 5 -0.611 19.274 2.797 28 3HG1 VAL 5 3HG1 VAL 5 -0.490 18.895 4.516 29 1HG2 VAL 5 1HG2 VAL 5 1.641 16.465 1.762 30 2HG2 VAL 5 2HG2 VAL 5 0.701 17.817 1.129 31 3HG2 VAL 5 3HG2 VAL 5 -0.121 16.417 1.818 32 H GLU 6 H GLU 6 2.742 16.644 4.719 33 HA GLU 6 HA GLU 6 5.325 16.422 3.349 34 2HB GLU 6 2HB GLU 6 5.491 16.718 5.752 35 2HG GLU 6 2HG GLU 6 3.966 14.158 6.078 36 HA PRO 7 HA PRO 7 4.011 12.718 1.451 37 2HB PRO 7 2HB PRO 7 5.984 12.947 0.262 38 2HG PRO 7 2HG PRO 7 7.978 13.468 1.332 39 2HD PRO 7 2HD PRO 7 6.766 15.156 2.303 40 H ARG 8 H ARG 8 2.870 11.167 2.328 41 HA ARG 8 HA ARG 8 3.985 9.599 4.534 42 2HB ARG 8 2HB ARG 8 1.923 10.372 5.261 43 2HG ARG 8 2HG ARG 8 0.644 9.736 2.615 44 2HD ARG 8 2HD ARG 8 -0.266 11.131 5.117 45 HE ARG 8 HE ARG 8 -1.068 11.773 2.460 46 1HH1 ARG 8 1HH1 ARG 8 -2.314 11.281 5.688 47 2HH1 ARG 8 2HH1 ARG 8 -3.635 12.397 5.493 48 1HH2 ARG 8 1HH2 ARG 8 -2.805 13.261 2.200 49 2HH2 ARG 8 2HH2 ARG 8 -3.918 13.507 3.508 50 H LYS 9 H LYS 9 4.722 7.643 4.114 51 HA LYS 9 HA LYS 9 4.718 6.715 1.419 52 2HB LYS 9 2HB LYS 9 6.033 4.796 2.371 53 2HG LYS 9 2HG LYS 9 6.962 7.554 3.129 54 2HD LYS 9 2HD LYS 9 8.247 5.921 4.363 55 2HE LYS 9 2HE LYS 9 8.730 4.592 1.698 56 1HZ LYS 9 1HZ LYS 9 9.983 2.982 2.982 57 2HZ LYS 9 2HZ LYS 9 9.716 3.866 4.408 58 3HZ LYS 9 3HZ LYS 9 10.662 4.527 3.169 59 H LEU 10 H LEU 10 3.629 5.135 0.477 60 HA LEU 10 HA LEU 10 1.821 3.485 2.103 61 2HB LEU 10 2HB LEU 10 0.986 2.817 -0.265 62 HG LEU 10 HG LEU 10 0.427 5.625 0.696 63 1HD1 LEU 10 1HD1 LEU 10 -1.661 5.364 -0.547 64 2HD1 LEU 10 2HD1 LEU 10 -1.113 3.798 -1.142 65 3HD1 LEU 10 3HD1 LEU 10 -0.261 5.270 -1.610 66 1HD2 LEU 10 1HD2 LEU 10 -0.999 3.026 1.271 67 2HD2 LEU 10 2HD2 LEU 10 -1.509 4.630 1.803 68 3HD2 LEU 10 3HD2 LEU 10 -0.009 3.933 2.417 69 H VAL 11 H VAL 11 2.513 1.555 2.611 70 HA VAL 11 HA VAL 11 4.515 0.281 0.882 71 HB VAL 11 HB VAL 11 3.674 -0.394 3.715 72 1HG1 VAL 11 1HG1 VAL 11 4.252 -2.391 2.370 73 2HG1 VAL 11 2HG1 VAL 11 5.387 -2.097 3.688 74 3HG1 VAL 11 3HG1 VAL 11 5.831 -1.672 2.035 75 1HG2 VAL 11 1HG2 VAL 11 5.062 1.619 3.544 76 2HG2 VAL 11 2HG2 VAL 11 6.269 0.714 2.632 77 3HG2 VAL 11 3HG2 VAL 11 5.945 0.299 4.315 78 H VAL 12 H VAL 12 3.992 -1.405 -0.320 79 HA VAL 12 HA VAL 12 1.319 -2.555 -0.031 80 HB VAL 12 HB VAL 12 3.348 -3.016 -2.217 81 1HG1 VAL 12 1HG1 VAL 12 1.483 -3.947 -3.467 82 2HG1 VAL 12 2HG1 VAL 12 0.413 -3.651 -2.097 83 3HG1 VAL 12 3HG1 VAL 12 1.729 -4.814 -1.949 84 1HG2 VAL 12 1HG2 VAL 12 1.956 -1.527 -3.595 85 2HG2 VAL 12 2HG2 VAL 12 2.689 -0.690 -2.229 86 3HG2 VAL 12 3HG2 VAL 12 0.988 -1.149 -2.172 87 H TYR 13 H TYR 13 1.321 -4.125 1.465 88 HA TYR 13 HA TYR 13 3.520 -5.982 1.697 89 2HB TYR 13 2HB TYR 13 1.928 -7.165 3.296 90 HD1 TYR 13 1HD TYR 13 4.504 -5.810 3.529 91 HD2 TYR 13 2HD TYR 13 0.675 -4.645 4.981 92 HE1 TYR 13 1HE TYR 13 5.586 -4.538 5.334 93 HE2 TYR 13 2HE TYR 13 1.750 -3.360 6.785 94 HH TYR 13 HH TYR 13 5.053 -2.634 6.815 95 H GLY 14 H GLY 14 3.788 -7.590 0.354 96 1HA GLY 14 1HA GLY 14 1.472 -9.107 -0.574 97 2HA GLY 14 2HA GLY 14 2.485 -8.365 -1.805 98 H ARG 15 H ARG 15 3.052 -10.432 -2.622 99 HA ARG 15 HA ARG 15 5.488 -11.377 -1.551 100 2HB ARG 15 2HB ARG 15 3.899 -12.505 0.018 101 2HG ARG 15 2HG ARG 15 2.988 -13.903 -2.486 102 2HD ARG 15 2HD ARG 15 1.878 -15.506 -1.123 103 HE ARG 15 HE ARG 15 4.721 -15.211 -0.528 104 1HH1 ARG 15 1HH1 ARG 15 1.908 -17.306 -0.690 105 2HH1 ARG 15 2HH1 ARG 15 2.839 -18.758 -0.476 106 1HH2 ARG 15 1HH2 ARG 15 5.928 -17.115 -0.259 107 2HH2 ARG 15 2HH2 ARG 15 5.114 -18.658 -0.243 108 H GLU 16 H GLU 16 6.370 -13.175 -2.808 109 HA GLU 16 HA GLU 16 5.977 -12.926 -5.573 110 2HB GLU 16 2HB GLU 16 7.296 -15.150 -5.589 111 2HG GLU 16 2HG GLU 16 9.377 -14.067 -4.670 112 H GLY 17 H GLY 17 4.607 -13.881 -6.953 113 1HA GLY 17 1HA GLY 17 3.416 -15.792 -7.757 114 2HA GLY 17 2HA GLY 17 3.244 -16.342 -6.097 115 H CYS 18 H CYS 18 2.572 -13.231 -5.760 116 HA CYS 18 HA CYS 18 -0.289 -13.646 -6.272 117 2HB CYS 18 2HB CYS 18 1.022 -11.617 -4.447 118 HG CYS 18 HG CYS 18 -2.087 -12.484 -3.688 119 H HIS 19 H HIS 19 -0.775 -12.912 -8.221 120 HA HIS 19 HA HIS 19 0.723 -10.966 -9.627 121 2HB HIS 19 2HB HIS 19 -2.125 -11.779 -10.238 122 HD1 HIS 19 1HD HIS 19 -1.305 -12.765 -13.094 123 HD2 HIS 19 2HD HIS 19 -0.344 -9.057 -11.468 124 HE1 HIS 19 1HE HIS 19 -0.923 -11.237 -15.059 125 H LEU 20 H LEU 20 -2.128 -10.776 -7.603 126 HA LEU 20 HA LEU 20 -3.108 -8.291 -8.428 127 2HB LEU 20 2HB LEU 20 -4.139 -8.174 -6.143 128 HG LEU 20 HG LEU 20 -4.515 -10.893 -7.393 129 1HD1 LEU 20 1HD1 LEU 20 -6.744 -10.755 -6.457 130 2HD1 LEU 20 2HD1 LEU 20 -6.391 -9.160 -5.794 131 3HD1 LEU 20 3HD1 LEU 20 -5.538 -10.576 -5.182 132 1HD2 LEU 20 1HD2 LEU 20 -5.829 -8.273 -8.096 133 2HD2 LEU 20 2HD2 LEU 20 -6.285 -9.853 -8.727 134 3HD2 LEU 20 3HD2 LEU 20 -4.702 -9.175 -9.107 135 H CYS 21 H CYS 21 -0.477 -9.095 -6.264 136 HA CYS 21 HA CYS 21 -0.154 -6.588 -5.034 137 2HB CYS 21 2HB CYS 21 2.155 -7.309 -4.588 138 HG CYS 21 HG CYS 21 -0.213 -9.737 -4.173 139 H GLU 22 H GLU 22 1.101 -7.903 -8.066 140 HA GLU 22 HA GLU 22 2.681 -5.631 -8.726 141 2HB GLU 22 2HB GLU 22 2.863 -6.655 -10.930 142 2HG GLU 22 2HG GLU 22 2.868 -8.797 -8.817 143 H GLU 23 H GLU 23 -0.616 -6.622 -9.361 144 HA GLU 23 HA GLU 23 -1.236 -4.637 -11.274 145 2HB GLU 23 2HB GLU 23 -3.594 -5.197 -10.732 146 2HG GLU 23 2HG GLU 23 -1.831 -7.630 -10.895 147 H MET 24 H MET 24 -1.376 -4.720 -7.762 148 HA MET 24 HA MET 24 -2.563 -2.183 -7.379 149 2HB MET 24 2HB MET 24 -1.082 -2.274 -5.200 150 2HG MET 24 2HG MET 24 -3.108 -4.449 -5.475 151 1HE MET 24 1HE MET 24 -5.107 -4.011 -3.383 152 2HE MET 24 2HE MET 24 -4.876 -2.275 -3.577 153 3HE MET 24 3HE MET 24 -4.707 -3.013 -1.982 154 H ILE 25 H ILE 25 0.821 -3.183 -7.739 155 HA ILE 25 HA ILE 25 2.072 -0.766 -7.189 156 HB ILE 25 HB ILE 25 2.900 -2.851 -9.210 157 2HG1 ILE 25 2HG1 ILE 25 2.629 -3.672 -6.876 158 1HG2 ILE 25 1HG2 ILE 25 4.054 -0.758 -9.642 159 2HG2 ILE 25 2HG2 ILE 25 5.169 -1.929 -8.937 160 3HG2 ILE 25 3HG2 ILE 25 4.510 -0.630 -7.941 161 1HD1 ILE 25 1HD1 ILE 25 4.396 -4.687 -8.241 162 2HD1 ILE 25 2HD1 ILE 25 4.832 -4.615 -6.534 163 3HD1 ILE 25 3HD1 ILE 25 5.528 -3.459 -7.670 164 H ALA 26 H ALA 26 1.040 -1.997 -10.380 165 HA ALA 26 HA ALA 26 1.776 0.252 -11.871 166 1HB ALA 26 1HB ALA 26 -0.474 -1.679 -12.428 167 2HB ALA 26 2HB ALA 26 1.215 -1.906 -12.882 168 3HB ALA 26 3HB ALA 26 0.277 -0.591 -13.595 169 H SER 27 H SER 27 -1.062 -0.372 -9.944 170 HA SER 27 HA SER 27 -2.613 1.793 -10.960 171 2HB SER 27 2HB SER 27 -4.085 1.317 -9.027 172 HG SER 27 HG SER 27 -3.240 -1.204 -9.948 173 H LEU 28 H LEU 28 -0.605 1.314 -8.076 174 HA LEU 28 HA LEU 28 -1.105 3.842 -6.924 175 2HB LEU 28 2HB LEU 28 1.309 3.256 -5.913 176 HG LEU 28 HG LEU 28 -0.782 3.295 -4.576 177 1HD1 LEU 28 1HD1 LEU 28 -2.122 1.779 -5.924 178 2HD1 LEU 28 2HD1 LEU 28 -2.029 1.231 -4.251 179 3HD1 LEU 28 3HD1 LEU 28 -1.057 0.442 -5.493 180 1HD2 LEU 28 1HD2 LEU 28 -0.021 1.688 -2.900 181 2HD2 LEU 28 2HD2 LEU 28 1.328 2.597 -3.585 182 3HD2 LEU 28 3HD2 LEU 28 1.032 0.935 -4.097 183 H ARG 29 H ARG 29 1.323 2.728 -9.220 184 HA ARG 29 HA ARG 29 3.054 4.896 -9.195 185 2HB ARG 29 2HB ARG 29 3.610 4.256 -11.517 186 2HG ARG 29 2HG ARG 29 3.362 1.602 -10.382 187 2HD ARG 29 2HD ARG 29 5.813 1.793 -10.395 188 HE ARG 29 HE ARG 29 4.281 2.320 -12.816 189 1HH1 ARG 29 1HH1 ARG 29 7.310 1.269 -11.396 190 2HH1 ARG 29 2HH1 ARG 29 7.930 0.623 -12.894 191 1HH2 ARG 29 1HH2 ARG 29 5.091 1.490 -14.769 192 2HH2 ARG 29 2HH2 ARG 29 6.681 0.789 -14.823 193 H VAL 30 H VAL 30 -0.065 4.525 -10.745 194 HA VAL 30 HA VAL 30 0.132 6.960 -12.247 195 HB VAL 30 HB VAL 30 -2.297 5.284 -11.601 196 1HG1 VAL 30 1HG1 VAL 30 -2.909 7.575 -12.182 197 2HG1 VAL 30 2HG1 VAL 30 -3.366 6.455 -13.464 198 3HG1 VAL 30 3HG1 VAL 30 -1.939 7.470 -13.649 199 1HG2 VAL 30 1HG2 VAL 30 -2.011 4.454 -13.905 200 2HG2 VAL 30 2HG2 VAL 30 -0.644 4.044 -12.867 201 3HG2 VAL 30 3HG2 VAL 30 -0.508 5.369 -14.029 202 H LEU 31 H LEU 31 -1.374 5.977 -9.199 203 HA LEU 31 HA LEU 31 -2.655 8.420 -8.641 204 2HB LEU 31 2HB LEU 31 -2.134 7.534 -6.169 205 HG LEU 31 HG LEU 31 -4.109 6.105 -7.944 206 1HD1 LEU 31 1HD1 LEU 31 -3.762 5.023 -5.796 207 2HD1 LEU 31 2HD1 LEU 31 -5.344 5.803 -5.846 208 3HD1 LEU 31 3HD1 LEU 31 -4.015 6.561 -4.965 209 1HD2 LEU 31 1HD2 LEU 31 -5.707 7.819 -7.153 210 2HD2 LEU 31 2HD2 LEU 31 -4.419 8.496 -8.148 211 3HD2 LEU 31 3HD2 LEU 31 -4.366 8.683 -6.396 212 H GLN 32 H GLN 32 0.617 7.292 -8.078 213 HA GLN 32 HA GLN 32 1.621 9.252 -6.407 214 2HB GLN 32 2HB GLN 32 3.614 8.783 -8.333 215 2HG GLN 32 2HG GLN 32 3.059 7.149 -5.869 216 1HE2 GLN 32 1HE2 GLN 32 4.867 6.068 -5.051 217 2HE2 GLN 32 2HE2 GLN 32 6.233 5.706 -6.048 218 H LYS 33 H LYS 33 0.758 9.459 -9.760 219 HA LYS 33 HA LYS 33 2.254 11.832 -10.313 220 2HB LYS 33 2HB LYS 33 1.071 11.796 -12.469 221 2HG LYS 33 2HG LYS 33 1.931 9.016 -11.719 222 2HD LYS 33 2HD LYS 33 2.897 9.103 -14.014 223 2HE LYS 33 2HE LYS 33 -0.083 9.520 -13.910 224 1HZ LYS 33 1HZ LYS 33 1.675 8.083 -15.823 225 2HZ LYS 33 2HZ LYS 33 0.706 9.436 -16.149 226 3HZ LYS 33 3HZ LYS 33 -0.015 7.938 -15.799 227 H LYS 34 H LYS 34 -0.655 11.217 -8.740 228 HA LYS 34 HA LYS 34 -1.576 13.992 -9.133 229 2HB LYS 34 2HB LYS 34 -3.706 13.199 -8.051 230 2HG LYS 34 2HG LYS 34 -3.482 13.245 -10.547 231 2HD LYS 34 2HD LYS 34 -3.012 10.295 -10.122 232 2HE LYS 34 2HE LYS 34 -4.616 10.506 -11.876 233 1HZ LYS 34 1HZ LYS 34 -2.850 12.634 -12.952 234 2HZ LYS 34 2HZ LYS 34 -4.471 12.775 -12.479 235 3HZ LYS 34 3HZ LYS 34 -4.067 11.876 -13.858 236 H SER 35 H SER 35 -0.933 11.489 -6.760 237 HA SER 35 HA SER 35 -0.474 13.520 -4.696 238 2HB SER 35 2HB SER 35 -1.754 12.173 -3.076 239 HG SER 35 HG SER 35 -3.830 12.573 -3.944 240 H TRP 36 H TRP 36 1.445 13.147 -3.706 241 HA TRP 36 HA TRP 36 2.887 10.763 -4.473 242 2HB TRP 36 2HB TRP 36 3.894 12.995 -2.709 243 HD1 TRP 36 HD TRP 36 5.742 11.564 -1.512 244 HE1 TRP 36 1HE TRP 36 7.809 10.269 -2.349 245 HE3 TRP 36 3HE TRP 36 4.782 11.637 -6.540 246 HZ2 TRP 36 2HZ TRP 36 8.870 9.393 -4.775 247 HZ3 TRP 36 3HZ TRP 36 6.386 10.540 -8.057 248 HH2 TRP 36 HH TRP 36 8.391 9.442 -7.192 249 H PHE 37 H PHE 37 3.369 9.067 -3.245 250 HA PHE 37 HA PHE 37 3.185 9.227 -0.349 251 2HB PHE 37 2HB PHE 37 0.973 8.523 -0.754 252 HD1 PHE 37 1HD PHE 37 2.666 5.602 -2.333 253 HD2 PHE 37 2HD PHE 37 -0.254 8.678 -2.697 254 HE1 PHE 37 1HE PHE 37 1.877 4.598 -4.432 255 HE2 PHE 37 2HE PHE 37 -1.045 7.682 -4.796 256 HZ PHE 37 HZ PHE 37 0.018 5.644 -5.671 257 H GLU 38 H GLU 38 5.197 8.729 -2.592 258 HA GLU 38 HA GLU 38 7.006 7.425 -3.040 259 2HB GLU 38 2HB GLU 38 7.944 6.131 -1.109 260 2HG GLU 38 2HG GLU 38 7.994 8.130 0.535 261 H LEU 39 H LEU 39 7.726 4.845 -2.513 262 HA LEU 39 HA LEU 39 5.409 3.107 -2.755 263 2HB LEU 39 2HB LEU 39 7.412 2.460 -4.803 264 HG LEU 39 HG LEU 39 5.657 1.832 -6.162 265 1HD1 LEU 39 1HD1 LEU 39 4.453 1.576 -3.418 266 2HD1 LEU 39 2HD1 LEU 39 5.639 0.478 -4.127 267 3HD1 LEU 39 3HD1 LEU 39 4.033 0.622 -4.841 268 1HD2 LEU 39 1HD2 LEU 39 3.358 2.687 -5.967 269 2HD2 LEU 39 2HD2 LEU 39 4.532 3.960 -6.290 270 3HD2 LEU 39 3HD2 LEU 39 3.884 3.753 -4.664 271 H GLU 40 H GLU 40 5.776 1.264 -1.668 272 HA GLU 40 HA GLU 40 8.484 0.196 -1.517 273 2HB GLU 40 2HB GLU 40 6.915 0.386 1.023 274 2HG GLU 40 2HG GLU 40 9.735 -0.098 0.287 275 H VAL 41 H VAL 41 8.441 -1.959 -1.752 276 HA VAL 41 HA VAL 41 5.860 -3.332 -1.384 277 HB VAL 41 HB VAL 41 7.982 -3.987 -3.443 278 1HG1 VAL 41 1HG1 VAL 41 6.765 -5.955 -2.658 279 2HG1 VAL 41 2HG1 VAL 41 6.329 -5.563 -4.325 280 3HG1 VAL 41 3HG1 VAL 41 5.233 -5.151 -3.003 281 1HG2 VAL 41 1HG2 VAL 41 6.332 -3.219 -5.094 282 2HG2 VAL 41 2HG2 VAL 41 6.819 -1.920 -4.008 283 3HG2 VAL 41 3HG2 VAL 41 5.263 -2.718 -3.784 284 H ILE 42 H ILE 42 5.910 -4.846 0.148 285 HA ILE 42 HA ILE 42 8.514 -6.041 0.835 286 HB ILE 42 HB ILE 42 6.430 -5.058 2.788 287 2HG1 ILE 42 2HG1 ILE 42 7.777 -3.275 1.710 288 1HG2 ILE 42 1HG2 ILE 42 8.070 -5.691 4.519 289 2HG2 ILE 42 2HG2 ILE 42 9.088 -6.408 3.269 290 3HG2 ILE 42 3HG2 ILE 42 7.493 -7.084 3.604 291 1HD1 ILE 42 1HD1 ILE 42 7.146 -2.968 4.066 292 2HD1 ILE 42 2HD1 ILE 42 8.664 -2.176 3.641 293 3HD1 ILE 42 3HD1 ILE 42 8.680 -3.695 4.542 294 H ASN 43 H ASN 43 8.496 -8.183 0.875 295 HA ASN 43 HA ASN 43 6.067 -9.634 0.412 296 2HB ASN 43 2HB ASN 43 7.600 -11.651 0.517 297 1HD2 ASN 43 1HD2 ASN 43 9.933 -11.173 -1.119 298 2HD2 ASN 43 2HD2 ASN 43 9.350 -10.686 -2.669 299 H ILE 44 H ILE 44 4.796 -10.575 1.838 300 HA ILE 44 HA ILE 44 5.369 -10.325 4.647 301 HB ILE 44 HB ILE 44 3.136 -11.333 4.983 302 2HG1 ILE 44 2HG1 ILE 44 3.410 -11.860 2.072 303 1HG2 ILE 44 1HG2 ILE 44 1.850 -9.492 3.988 304 2HG2 ILE 44 2HG2 ILE 44 3.247 -9.073 2.996 305 3HG2 ILE 44 3HG2 ILE 44 3.342 -8.942 4.752 306 1HD1 ILE 44 1HD1 ILE 44 2.000 -13.758 2.534 307 2HD1 ILE 44 2HD1 ILE 44 1.721 -13.184 4.177 308 3HD1 ILE 44 3HD1 ILE 44 3.334 -13.706 3.686 309 H ASP 45 H ASP 45 5.723 -12.791 2.273 310 HA ASP 45 HA ASP 45 5.487 -14.990 4.118 311 2HB ASP 45 2HB ASP 45 4.833 -15.268 1.772 312 H GLY 46 H GLY 46 7.856 -12.756 3.508 313 1HA GLY 46 1HA GLY 46 10.065 -14.545 4.170 314 2HA GLY 46 2HA GLY 46 10.189 -12.829 3.802 315 H ASN 47 H ASN 47 7.689 -12.917 5.826 316 HA ASN 47 HA ASN 47 9.357 -12.757 8.247 317 2HB ASN 47 2HB ASN 47 7.766 -10.863 8.947 318 1HD2 ASN 47 1HD2 ASN 47 8.097 -8.750 6.936 319 2HD2 ASN 47 2HD2 ASN 47 9.786 -8.389 6.914 320 H GLU 48 H GLU 48 8.670 -13.980 9.824 321 HA GLU 48 HA GLU 48 6.582 -15.768 9.705 322 2HB GLU 48 2HB GLU 48 7.805 -14.554 12.193 323 2HG GLU 48 2HG GLU 48 5.825 -15.944 12.675 324 H HIS 49 H HIS 49 6.606 -12.594 11.321 325 HA HIS 49 HA HIS 49 4.019 -12.762 12.419 326 2HB HIS 49 2HB HIS 49 4.105 -10.259 12.498 327 HD1 HIS 49 1HD HIS 49 7.392 -9.696 13.122 328 HD2 HIS 49 2HD HIS 49 4.674 -12.313 14.880 329 HE1 HIS 49 1HE HIS 49 8.289 -10.166 15.425 330 H LEU 50 H LEU 50 5.145 -11.417 9.339 331 HA LEU 50 HA LEU 50 2.574 -10.372 8.669 332 2HB LEU 50 2HB LEU 50 3.613 -9.897 6.458 333 HG LEU 50 HG LEU 50 5.448 -9.052 8.694 334 1HD1 LEU 50 1HD1 LEU 50 5.840 -7.109 7.289 335 2HD1 LEU 50 2HD1 LEU 50 4.756 -7.764 6.060 336 3HD1 LEU 50 3HD1 LEU 50 6.265 -8.597 6.441 337 1HD2 LEU 50 1HD2 LEU 50 2.854 -7.812 7.777 338 2HD2 LEU 50 2HD2 LEU 50 3.993 -7.082 8.909 339 3HD2 LEU 50 3HD2 LEU 50 3.160 -8.574 9.337 340 H THR 51 H THR 51 4.295 -13.356 7.930 341 HA THR 51 HA THR 51 2.668 -14.223 5.808 342 HB THR 51 HB THR 51 3.947 -15.989 7.901 343 HG1 THR 51 1HG THR 51 5.156 -14.322 6.275 344 1HG2 THR 51 1HG2 THR 51 2.345 -17.158 6.473 345 2HG2 THR 51 2HG2 THR 51 3.994 -17.662 6.101 346 3HG2 THR 51 3HG2 THR 51 3.157 -16.532 5.038 347 H ARG 52 H ARG 52 2.407 -14.835 9.289 348 HA ARG 52 HA ARG 52 0.101 -16.426 9.188 349 2HB ARG 52 2HB ARG 52 -0.102 -15.942 11.603 350 2HG ARG 52 2HG ARG 52 2.761 -16.360 10.758 351 2HD ARG 52 2HD ARG 52 1.337 -17.154 13.296 352 HE ARG 52 HE ARG 52 3.870 -17.963 12.203 353 1HH1 ARG 52 1HH1 ARG 52 2.133 -17.326 15.190 354 2HH1 ARG 52 2HH1 ARG 52 3.144 -18.377 16.144 355 1HH2 ARG 52 1HH2 ARG 52 5.167 -19.361 13.451 356 2HH2 ARG 52 2HH2 ARG 52 4.862 -19.543 15.155 357 H LEU 53 H LEU 53 0.538 -12.989 9.153 358 HA LEU 53 HA LEU 53 -2.192 -12.392 9.846 359 2HB LEU 53 2HB LEU 53 -1.443 -10.030 9.297 360 HG LEU 53 HG LEU 53 0.084 -11.558 11.406 361 1HD1 LEU 53 1HD1 LEU 53 -0.128 -8.580 10.952 362 2HD1 LEU 53 2HD1 LEU 53 1.331 -9.555 10.779 363 3HD1 LEU 53 3HD1 LEU 53 0.587 -9.353 12.366 364 1HD2 LEU 53 1HD2 LEU 53 -2.317 -9.737 11.503 365 2HD2 LEU 53 2HD2 LEU 53 -1.533 -10.472 12.901 366 3HD2 LEU 53 3HD2 LEU 53 -2.337 -11.488 11.703 367 H TYR 54 H TYR 54 -0.366 -12.733 6.822 368 HA TYR 54 HA TYR 54 -2.679 -11.608 5.381 369 2HB TYR 54 2HB TYR 54 -1.205 -10.272 3.952 370 HD1 TYR 54 1HD TYR 54 -2.946 -8.828 5.108 371 HD2 TYR 54 2HD TYR 54 0.861 -9.653 6.818 372 HE1 TYR 54 1HE TYR 54 -3.191 -6.875 6.584 373 HE2 TYR 54 2HE TYR 54 0.624 -7.709 8.303 374 HH TYR 54 HH TYR 54 -2.364 -5.841 8.437 375 H ASN 55 H ASN 55 -1.056 -14.279 5.741 376 HA ASN 55 HA ASN 55 0.383 -14.950 3.536 377 2HB ASN 55 2HB ASN 55 -0.030 -16.355 5.585 378 1HD2 ASN 55 1HD2 ASN 55 -1.764 -18.279 3.300 379 2HD2 ASN 55 2HD2 ASN 55 -3.201 -18.475 4.253 380 H ASP 56 H ASP 56 -3.176 -14.974 3.680 381 HA ASP 56 HA ASP 56 -3.134 -15.378 0.763 382 2HB ASP 56 2HB ASP 56 -5.278 -16.561 2.522 383 H ARG 57 H ARG 57 -3.408 -13.009 2.564 384 HA ARG 57 HA ARG 57 -5.814 -11.913 1.363 385 2HB ARG 57 2HB ARG 57 -5.330 -11.725 4.347 386 2HG ARG 57 2HG ARG 57 -7.350 -10.592 2.551 387 2HD ARG 57 2HD ARG 57 -9.124 -10.762 4.276 388 HE ARG 57 HE ARG 57 -8.958 -12.452 2.385 389 1HH1 ARG 57 1HH1 ARG 57 -8.806 -13.397 5.762 390 2HH1 ARG 57 2HH1 ARG 57 -9.480 -14.975 5.472 391 1HH2 ARG 57 1HH2 ARG 57 -9.821 -14.513 2.009 392 2HH2 ARG 57 2HH2 ARG 57 -10.051 -15.612 3.333 393 H VAL 58 H VAL 58 -3.285 -11.455 0.591 394 HA VAL 58 HA VAL 58 -2.018 -9.481 2.195 395 HB VAL 58 HB VAL 58 -0.745 -9.626 -0.329 396 1HG1 VAL 58 1HG1 VAL 58 1.076 -10.525 1.003 397 2HG1 VAL 58 2HG1 VAL 58 -0.044 -10.840 2.327 398 3HG1 VAL 58 3HG1 VAL 58 0.286 -9.181 1.828 399 1HG2 VAL 58 1HG2 VAL 58 -1.910 -11.714 -0.763 400 2HG2 VAL 58 2HG2 VAL 58 -1.419 -12.342 0.809 401 3HG2 VAL 58 3HG2 VAL 58 -0.208 -12.029 -0.434 402 HA PRO 59 HA PRO 59 -1.177 -6.880 -1.473 403 2HB PRO 59 2HB PRO 59 -2.401 -6.410 -3.407 404 2HG PRO 59 2HG PRO 59 -1.924 -8.606 -3.791 405 2HD PRO 59 2HD PRO 59 -1.605 -9.850 -1.926 406 H VAL 60 H VAL 60 -1.160 -5.969 0.677 407 HA VAL 60 HA VAL 60 -3.546 -4.401 1.394 408 HB VAL 60 HB VAL 60 -2.168 -4.490 3.729 409 1HG1 VAL 60 1HG1 VAL 60 -3.972 -6.732 2.812 410 2HG1 VAL 60 2HG1 VAL 60 -4.541 -5.143 3.336 411 3HG1 VAL 60 3HG1 VAL 60 -3.696 -6.196 4.470 412 1HG2 VAL 60 1HG2 VAL 60 -1.310 -6.750 4.073 413 2HG2 VAL 60 2HG2 VAL 60 -0.402 -5.909 2.813 414 3HG2 VAL 60 3HG2 VAL 60 -1.608 -7.125 2.377 415 H LEU 61 H LEU 61 -3.355 -2.282 1.213 416 HA LEU 61 HA LEU 61 -0.755 -1.036 1.011 417 2HB LEU 61 2HB LEU 61 -2.155 1.085 0.837 418 HG LEU 61 HG LEU 61 -2.819 -1.037 -1.197 419 1HD1 LEU 61 1HD1 LEU 61 -4.187 0.959 -1.398 420 2HD1 LEU 61 2HD1 LEU 61 -3.019 0.876 -2.718 421 3HD1 LEU 61 3HD1 LEU 61 -2.740 1.969 -1.364 422 1HD2 LEU 61 1HD2 LEU 61 -0.452 0.820 -0.997 423 2HD2 LEU 61 2HD2 LEU 61 -0.842 -0.178 -2.399 424 3HD2 LEU 61 3HD2 LEU 61 -0.420 -0.941 -0.865 425 H PHE 62 H PHE 62 0.343 -0.778 2.806 426 HA PHE 62 HA PHE 62 -1.026 -0.114 5.290 427 2HB PHE 62 2HB PHE 62 1.851 -0.808 4.672 428 HD1 PHE 62 1HD PHE 62 3.281 0.437 5.981 429 HD2 PHE 62 2HD PHE 62 -0.326 -1.048 7.677 430 HE1 PHE 62 1HE PHE 62 3.997 1.240 8.189 431 HE2 PHE 62 2HE PHE 62 0.383 -0.247 9.891 432 HZ PHE 62 HZ PHE 62 2.544 0.903 10.148 433 H ALA 63 H ALA 63 -1.238 1.885 5.968 434 HA ALA 63 HA ALA 63 0.030 4.047 4.545 435 1HB ALA 63 1HB ALA 63 -1.375 5.489 5.909 436 2HB ALA 63 2HB ALA 63 -1.849 4.109 6.898 437 3HB ALA 63 3HB ALA 63 -2.319 4.180 5.200 438 H VAL 64 H VAL 64 2.158 4.319 5.029 439 HA VAL 64 HA VAL 64 3.122 4.035 7.739 440 HB VAL 64 HB VAL 64 4.628 5.098 5.345 441 1HG1 VAL 64 1HG1 VAL 64 5.712 5.636 7.433 442 2HG1 VAL 64 2HG1 VAL 64 6.616 4.364 6.613 443 3HG1 VAL 64 3HG1 VAL 64 5.569 3.963 7.975 444 1HG2 VAL 64 1HG2 VAL 64 5.513 2.829 5.092 445 2HG2 VAL 64 2HG2 VAL 64 3.766 2.877 4.856 446 3HG2 VAL 64 3HG2 VAL 64 4.437 2.270 6.370 447 H ASN 65 H ASN 65 1.988 5.570 8.836 448 HA ASN 65 HA ASN 65 3.130 8.015 9.348 449 2HB ASN 65 2HB ASN 65 0.672 8.368 7.601 450 1HD2 ASN 65 1HD2 ASN 65 3.423 10.452 7.707 451 2HD2 ASN 65 2HD2 ASN 65 2.664 11.764 8.548 452 H GLU 66 H GLU 66 -0.063 6.606 8.836 453 HA GLU 66 HA GLU 66 -0.878 7.415 11.530 454 2HB GLU 66 2HB GLU 66 -2.580 6.098 9.411 455 2HG GLU 66 2HG GLU 66 -3.383 8.007 11.585 456 H ASP 67 H ASP 67 0.173 4.752 9.690 457 HA ASP 67 HA ASP 67 0.629 2.593 10.148 458 2HB ASP 67 2HB ASP 67 -0.146 3.151 13.017 459 H LYS 68 H LYS 68 -1.269 2.216 8.815 460 HA LYS 68 HA LYS 68 -2.800 0.155 9.913 461 2HB LYS 68 2HB LYS 68 -4.081 1.908 11.018 462 2HG LYS 68 2HG LYS 68 -3.701 3.572 8.962 463 2HD LYS 68 2HD LYS 68 -6.336 2.211 8.481 464 2HE LYS 68 2HE LYS 68 -6.945 4.084 7.021 465 1HZ LYS 68 1HZ LYS 68 -6.449 5.295 9.664 466 2HZ LYS 68 2HZ LYS 68 -7.521 3.988 9.520 467 3HZ LYS 68 3HZ LYS 68 -7.815 5.420 8.661 468 H GLU 69 H GLU 69 -3.963 -0.986 8.364 469 HA GLU 69 HA GLU 69 -3.102 -0.512 5.656 470 2HB GLU 69 2HB GLU 69 -4.114 -2.654 5.150 471 2HG GLU 69 2HG GLU 69 -1.986 -2.548 6.670 472 H LEU 70 H LEU 70 -4.337 0.085 3.926 473 HA LEU 70 HA LEU 70 -6.902 1.326 4.567 474 2HB LEU 70 2HB LEU 70 -6.741 2.434 2.446 475 HG LEU 70 HG LEU 70 -3.960 2.391 3.608 476 1HD1 LEU 70 1HD1 LEU 70 -3.779 4.599 2.519 477 2HD1 LEU 70 2HD1 LEU 70 -5.337 4.312 1.738 478 3HD1 LEU 70 3HD1 LEU 70 -3.960 3.275 1.372 479 1HD2 LEU 70 1HD2 LEU 70 -6.258 4.277 4.136 480 2HD2 LEU 70 2HD2 LEU 70 -4.634 4.380 4.820 481 3HD2 LEU 70 3HD2 LEU 70 -5.688 3.031 5.243 482 H CYS 71 H CYS 71 -5.954 -0.225 1.538 483 HA CYS 71 HA CYS 71 -8.369 -1.898 1.725 484 2HB CYS 71 2HB CYS 71 -8.844 -0.165 0.131 485 HG CYS 71 HG CYS 71 -7.205 1.240 -1.235 486 H HIS 72 H HIS 72 -8.246 -3.828 0.201 487 HA HIS 72 HA HIS 72 -5.509 -4.733 -0.215 488 2HB HIS 72 2HB HIS 72 -5.875 -5.404 2.061 489 HD1 HIS 72 1HD HIS 72 -8.349 -4.554 2.817 490 HD2 HIS 72 2HD HIS 72 -8.058 -8.428 1.354 491 HE1 HIS 72 1HE HIS 72 -10.445 -5.717 3.572 492 H TYR 73 H TYR 73 -5.429 -6.937 -1.173 493 HA TYR 73 HA TYR 73 -5.918 -8.462 -2.756 494 2HB TYR 73 2HB TYR 73 -8.393 -8.551 -3.611 495 HD1 TYR 73 1HD TYR 73 -9.370 -8.661 -0.294 496 HD2 TYR 73 2HD TYR 73 -6.803 -10.663 -3.029 497 HE1 TYR 73 1HE TYR 73 -9.442 -10.671 1.119 498 HE2 TYR 73 2HE TYR 73 -6.867 -12.679 -1.624 499 HH TYR 73 HH TYR 73 -7.330 -13.365 0.599 500 H PHE 74 H PHE 74 -8.271 -6.021 -3.864 501 HA PHE 74 HA PHE 74 -6.759 -5.993 -6.375 502 2HB PHE 74 2HB PHE 74 -8.974 -4.753 -7.125 503 HD1 PHE 74 1HD PHE 74 -8.248 -6.029 -9.043 504 HD2 PHE 74 2HD PHE 74 -9.884 -7.954 -5.623 505 HE1 PHE 74 1HE PHE 74 -8.561 -8.082 -10.359 506 HE2 PHE 74 2HE PHE 74 -10.200 -10.015 -6.930 507 HZ PHE 74 HZ PHE 74 -9.539 -10.081 -9.301 508 H LEU 75 H LEU 75 -8.943 -3.554 -5.058 509 HA LEU 75 HA LEU 75 -7.155 -1.724 -4.037 510 2HB LEU 75 2HB LEU 75 -7.760 -1.021 -6.910 511 HG LEU 75 HG LEU 75 -7.258 0.914 -5.447 512 1HD1 LEU 75 1HD1 LEU 75 -4.573 -0.395 -5.066 513 2HD1 LEU 75 2HD1 LEU 75 -5.849 -0.375 -3.849 514 3HD1 LEU 75 3HD1 LEU 75 -5.119 1.142 -4.388 515 1HD2 LEU 75 1HD2 LEU 75 -5.460 1.838 -6.808 516 2HD2 LEU 75 2HD2 LEU 75 -6.609 0.945 -7.808 517 3HD2 LEU 75 3HD2 LEU 75 -5.053 0.221 -7.385 518 H ASP 76 H ASP 76 -8.239 0.079 -3.287 519 HA ASP 76 HA ASP 76 -10.932 0.564 -4.376 520 2HB ASP 76 2HB ASP 76 -10.088 1.076 -1.510 521 H SER 77 H SER 77 -11.003 2.420 -5.411 522 HA SER 77 HA SER 77 -8.742 4.200 -5.253 523 2HB SER 77 2HB SER 77 -9.333 3.897 -7.458 524 HG SER 77 HG SER 77 -12.092 4.243 -6.974 525 H ASP 78 H ASP 78 -11.491 4.025 -3.453 526 HA ASP 78 HA ASP 78 -11.815 6.946 -3.357 527 2HB ASP 78 2HB ASP 78 -13.995 6.457 -2.235 528 H VAL 79 H VAL 79 -11.418 4.056 -1.349 529 HA VAL 79 HA VAL 79 -11.284 5.386 1.134 530 HB VAL 79 HB VAL 79 -10.098 2.771 0.219 531 1HG1 VAL 79 1HG1 VAL 79 -8.701 3.676 2.036 532 2HG1 VAL 79 2HG1 VAL 79 -9.611 2.256 2.547 533 3HG1 VAL 79 3HG1 VAL 79 -10.141 3.867 3.034 534 1HG2 VAL 79 1HG2 VAL 79 -11.885 1.859 1.653 535 2HG2 VAL 79 2HG2 VAL 79 -12.514 2.867 0.350 536 3HG2 VAL 79 3HG2 VAL 79 -12.423 3.507 1.990 537 H ILE 80 H ILE 80 -8.709 4.524 -1.172 538 HA ILE 80 HA ILE 80 -6.651 5.744 0.366 539 HB ILE 80 HB ILE 80 -6.085 4.105 -1.363 540 2HG1 ILE 80 2HG1 ILE 80 -4.991 6.855 -1.981 541 1HG2 ILE 80 1HG2 ILE 80 -6.202 4.654 -3.718 542 2HG2 ILE 80 2HG2 ILE 80 -6.971 6.192 -3.328 543 3HG2 ILE 80 3HG2 ILE 80 -7.806 4.674 -2.987 544 1HD1 ILE 80 1HD1 ILE 80 -4.727 6.232 0.367 545 2HD1 ILE 80 2HD1 ILE 80 -3.194 6.323 -0.493 546 3HD1 ILE 80 3HD1 ILE 80 -3.914 4.748 -0.133 547 H GLY 81 H GLY 81 -8.948 6.922 -1.998 548 1HA GLY 81 1HA GLY 81 -7.736 9.445 -2.463 549 2HA GLY 81 2HA GLY 81 -9.431 9.050 -2.729 550 H ALA 82 H ALA 82 -9.963 8.246 -0.043 551 HA ALA 82 HA ALA 82 -10.535 10.756 1.160 552 1HB ALA 82 1HB ALA 82 -11.985 8.800 1.440 553 2HB ALA 82 2HB ALA 82 -11.452 9.428 3.000 554 3HB ALA 82 3HB ALA 82 -10.707 7.975 2.329 555 H TYR 83 H TYR 83 -8.085 8.288 1.638 556 HA TYR 83 HA TYR 83 -7.078 9.481 4.053 557 2HB TYR 83 2HB TYR 83 -6.087 7.211 2.327 558 HD1 TYR 83 1HD TYR 83 -3.755 7.198 2.259 559 HD2 TYR 83 2HD TYR 83 -5.719 8.133 5.917 560 HE1 TYR 83 1HE TYR 83 -1.586 7.223 3.411 561 HE2 TYR 83 2HE TYR 83 -3.554 8.162 7.077 562 HH TYR 83 HH TYR 83 -1.348 7.453 6.871 563 H LEU 84 H LEU 84 -5.985 9.239 0.680 564 HA LEU 84 HA LEU 84 -3.462 10.485 1.274 565 2HB LEU 84 2HB LEU 84 -4.026 10.406 -1.532 566 HG LEU 84 HG LEU 84 -2.324 8.553 -1.553 567 1HD1 LEU 84 1HD1 LEU 84 -1.630 10.854 -1.860 568 2HD1 LEU 84 2HD1 LEU 84 -0.447 10.001 -0.868 569 3HD1 LEU 84 3HD1 LEU 84 -1.598 11.105 -0.114 570 1HD2 LEU 84 1HD2 LEU 84 -2.202 9.133 1.401 571 2HD2 LEU 84 2HD2 LEU 84 -1.084 8.114 0.498 572 3HD2 LEU 84 3HD2 LEU 84 -2.773 7.637 0.662 573 H SER 85 H SER 85 -6.254 11.915 1.366 574 HA SER 85 HA SER 85 -5.266 14.347 0.042 575 2HB SER 85 2HB SER 85 -7.557 15.031 -0.363 576 HG SER 85 HG SER 85 -7.942 12.490 -1.250
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